N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine

C18H26N2 — CID 43294791

IUPACN'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine
SMILESCCCCCN(C)CC(N)c1cccc2ccccc12
InChIInChI=1S/C18H26N2/c1-3-4-7-13-20(2)14-18(19)17-12-8-10-15-9-5-6-11-16(15)17/h5-6,8-12,18H,3-4,7,13-14,19H2,1-2H3
InChIKeyRKFPIXRNBUEACT-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.96
Rot. Bonds7

About N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine

N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine (PubChem CID 43294791) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine
PubChem CID43294791
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine
SMILESCCCCCN(C)CC(N)c1cccc2ccccc12
InChIInChI=1S/C18H26N2/c1-3-4-7-13-20(2)14-18(19)17-12-8-10-15-9-5-6-11-16(15)17/h5-6,8-12,18H,3-4,7,13-14,19H2,1-2H3
InChIKeyRKFPIXRNBUEACT-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine
CID 43271175
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892912
N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
CID 57188438
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine
CID 63880276
2-heptoxy-1-naphthalen-1-ylethanamine
CID 43127496
1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294826
2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol
CID 63700824
1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine
CID 62645170
1-hexadecan-6-ylnaphthalene
CID 14029925
1-decan-5-ylnaphthalene
CID 14029915
1-tetracosan-9-ylnaphthalene
CID 175897855

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine?
The IUPAC name of N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine (CID 43294791) is N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine is CCCCCN(C)CC(N)c1cccc2ccccc12.
What is the InChIKey of N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine?
The InChIKey is RKFPIXRNBUEACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-3-4-7-13-20(2)14-18(19)17-12-8-10-15-9-5-6-11-16(15)17/h5-6,8-12,18H,3-4,7,13-14,19H2,1-2H3.
What are the key properties of N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine?
N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine has a molecular weight of 270.42 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine is sourced from PubChem (CID 43294791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).