N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine

C36H48N2O2 — CID 44531940

IUPACN,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
SMILESCC(C)COc1ccc2ccccc2c1CNCCCCCCNCc1c(OCC(C)C)ccc2ccccc12
InChIInChI=1S/C36H48N2O2/c1-27(2)25-39-35-19-17-29-13-7-9-15-31(29)33(35)23-37-21-11-5-6-12-22-38-24-34-32-16-10-8-14-30(32)18-20-36(34)40-26-28(3)4/h7-10,13-20,27-28,37-38H,5-6,11-12,21-26H2,1-4H3
InChIKeyLDHUJUOJYSREQG-UHFFFAOYSA-N
MW540.79 g/mol
LogP8.50
Rot. Bonds17

About N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine

N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine (PubChem CID 44531940) has the molecular formula C36H48N2O2 and a molecular weight of 540.79 g/mol. Its IUPAC name is N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
PubChem CID44531940
Molecular FormulaC36H48N2O2
Molecular Weight540.79 g/mol
Exact Mass540.37
IUPAC NameN,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
SMILESCC(C)COc1ccc2ccccc2c1CNCCCCCCNCc1c(OCC(C)C)ccc2ccccc12
InChIInChI=1S/C36H48N2O2/c1-27(2)25-39-35-19-17-29-13-7-9-15-31(29)33(35)23-37-21-11-5-6-12-22-38-24-34-32-16-10-8-14-30(32)18-20-36(34)40-26-28(3)4/h7-10,13-20,27-28,37-38H,5-6,11-12,21-26H2,1-4H3
InChIKeyLDHUJUOJYSREQG-UHFFFAOYSA-N
XLogP8.50
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.79
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-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

N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
CID 54807559
3-methoxy-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54849354
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N,N'-bis[(2-propan-2-yloxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531928
N,N'-bis[(2-prop-2-ynoxynaphthalen-1-yl)methyl]hexane-1,6-diamine
CID 44531760
N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209000
N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531762
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584591
1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine
CID 54855712
N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
CID 82926082

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine?
The IUPAC name of N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine (CID 44531940) is N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine?
The canonical SMILES for N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine is CC(C)COc1ccc2ccccc2c1CNCCCCCCNCc1c(OCC(C)C)ccc2ccccc12.
What is the InChIKey of N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine?
The InChIKey is LDHUJUOJYSREQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N2O2/c1-27(2)25-39-35-19-17-29-13-7-9-15-31(29)33(35)23-37-21-11-5-6-12-22-38-24-34-32-16-10-8-14-30(32)18-20-36(34)40-26-28(3)4/h7-10,13-20,27-28,37-38H,5-6,11-12,21-26H2,1-4H3.
What are the key properties of N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine?
N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine has a molecular weight of 540.79 g/mol, XLogP of 8.50, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine is sourced from PubChem (CID 44531940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).