1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine

C130H207N10O2+ — CID 162079646

IUPAC1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine
SMILESCCCCCCCCCCCCCCCCCCN(C)c1cccc2c(N(C)CCCCCCCCCCCCCCCCCC)cccc12.CCCCCCCCCCCCCCCCCCN(C)c1cccc2c([NH+](C)CCCCCCCCCCCCCCCCCC)cccc12.CNc1cccc2c(NC)cccc12.Nc1cccc2c(N)cccc12.O=CNc1cccc2c(NC=O)cccc12
InChIInChI=1S/2C48H86N2.C12H10N2O2.C12H14N2.C10H10N2/c2*1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43-49(3)47-41-37-40-46-45(47)39-38-42-48(46)50(4)44-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16;1-13-11-7-3-6-10-9(11)5-4-8-12(10)14-2;11-9-5-1-3-7-8(9)4-2-6-10(7)12/h2*37-42H,5-36,43-44H2,1-4H3;1-8H,(H,13,15)(H,14,16);3-8,13-14H,1-2H3;1-6H,11-12H2/p+1
InChIKeyZCDZDVMMISWAPP-UHFFFAOYSA-O
MW1942.15 g/mol
LogP38.08
Rot. Bonds78

About 1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine

1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine (PubChem CID 162079646) has the molecular formula C130H207N10O2+ and a molecular weight of 1942.15 g/mol. Its IUPAC name is 1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine.

Molecular Properties

Compound Name1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine
PubChem CID162079646
Molecular FormulaC130H207N10O2+
Molecular Weight1942.15 g/mol
Exact Mass1940.64
IUPAC Name1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine
SMILESCCCCCCCCCCCCCCCCCCN(C)c1cccc2c(N(C)CCCCCCCCCCCCCCCCCC)cccc12.CCCCCCCCCCCCCCCCCCN(C)c1cccc2c([NH+](C)CCCCCCCCCCCCCCCCCC)cccc12.CNc1cccc2c(NC)cccc12.Nc1cccc2c(N)cccc12.O=CNc1cccc2c(NC=O)cccc12
InChIInChI=1S/2C48H86N2.C12H10N2O2.C12H14N2.C10H10N2/c2*1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43-49(3)47-41-37-40-46-45(47)39-38-42-48(46)50(4)44-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16;1-13-11-7-3-6-10-9(11)5-4-8-12(10)14-2;11-9-5-1-3-7-8(9)4-2-6-10(7)12/h2*37-42H,5-36,43-44H2,1-4H3;1-8H,(H,13,15)(H,14,16);3-8,13-14H,1-2H3;1-6H,11-12H2/p+1
InChIKeyZCDZDVMMISWAPP-UHFFFAOYSA-O
XLogP38.08
TPSA148.46 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds78
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001942.15
LogP ≤ 538.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-hexyl-5-N-methylisoquinoline-1,5-diamine
CID 164902305
1-N,1-N-dipropylnaphthalene-1,5-diamine
CID 139621321
3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline
CID 80895010
2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
2-[methyl(octyl)amino]benzoic acid
CID 21437831
N',N'-dimethyl-2-[methyl(pentyl)amino]benzohydrazide
CID 67412773
N-(5-bromonaphthalen-1-yl)formamide
CID 168652546
2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine
CID 142020233
2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 161139066
2-[[octyl(propyl)amino]methyl]aniline
CID 43459961
N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide
CID 62143951
naphthalen-1-amine;N-nonyl-N-phenylaniline
CID 174946941

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine?
The IUPAC name of 1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine (CID 162079646) is 1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine.
What is the SMILES notation for 1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine?
The canonical SMILES for 1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine is CCCCCCCCCCCCCCCCCCN(C)c1cccc2c(N(C)CCCCCCCCCCCCCCCCCC)cccc12.CCCCCCCCCCCCCCCCCCN(C)c1cccc2c([NH+](C)CCCCCCCCCCCCCCCCCC)cccc12.CNc1cccc2c(NC)cccc12.Nc1cccc2c(N)cccc12.O=CNc1cccc2c(NC=O)cccc12.
What is the InChIKey of 1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine?
The InChIKey is ZCDZDVMMISWAPP-UHFFFAOYSA-O. The full InChI is InChI=1S/2C48H86N2.C12H10N2O2.C12H14N2.C10H10N2/c2*1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43-49(3)47-41-37-40-46-45(47)39-38-42-48(46)50(4)44-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16;1-13-11-7-3-6-10-9(11)5-4-8-12(10)14-2;11-9-5-1-3-7-8(9)4-2-6-10(7)12/h2*37-42H,5-36,43-44H2,1-4H3;1-8H,(H,13,15)(H,14,16);3-8,13-14H,1-2H3;1-6H,11-12H2/p+1.
What are the key properties of 1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine?
1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine has a molecular weight of 1942.15 g/mol, XLogP of 38.08, 78 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-dimethyl-1-N,5-N-dioctadecylnaphthalene-1,5-diamine;1-N,5-N-dimethylnaphthalene-1,5-diamine;N-(5-formamidonaphthalen-1-yl)formamide;methyl-[5-[methyl(octadecyl)amino]naphthalen-1-yl]-octadecylazanium;naphthalene-1,5-diamine is sourced from PubChem (CID 162079646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).