N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine

C27H31N3 — CID 57188438

IUPACN'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
SMILESCN(CCC(N)c1cccc2ccccc12)CCC(N)c1cccc2ccccc12
InChIInChI=1S/C27H31N3/c1-30(18-16-26(28)24-14-6-10-20-8-2-4-12-22(20)24)19-17-27(29)25-15-7-11-21-9-3-5-13-23(21)25/h2-15,26-27H,16-19,28-29H2,1H3
InChIKeyADAIIRRFLQMQLF-UHFFFAOYSA-N
MW397.57 g/mol
LogP5.40
Rot. Bonds8

About N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine

N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine (PubChem CID 57188438) has the molecular formula C27H31N3 and a molecular weight of 397.57 g/mol. Its IUPAC name is N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
PubChem CID57188438
Molecular FormulaC27H31N3
Molecular Weight397.57 g/mol
Exact Mass397.25
IUPAC NameN'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
SMILESCN(CCC(N)c1cccc2ccccc12)CCC(N)c1cccc2ccccc12
InChIInChI=1S/C27H31N3/c1-30(18-16-26(28)24-14-6-10-20-8-2-4-12-22(20)24)19-17-27(29)25-15-7-11-21-9-3-5-13-23(21)25/h2-15,26-27H,16-19,28-29H2,1H3
InChIKeyADAIIRRFLQMQLF-UHFFFAOYSA-N
XLogP5.40
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-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'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine
CID 43271175
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
(3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium
CID 88609613
N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine
CID 43294791
N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892912
N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699831
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
CID 171212052
4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine
CID 63192592
4-methoxy-4-methyl-1-naphthalen-1-ylpentan-1-amine
CID 103031528
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethane-1,2-diamine
CID 63880276

Frequently Asked Questions

What is the IUPAC name of N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine?
The IUPAC name of N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine (CID 57188438) is N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine?
The canonical SMILES for N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine is CN(CCC(N)c1cccc2ccccc12)CCC(N)c1cccc2ccccc12.
What is the InChIKey of N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine?
The InChIKey is ADAIIRRFLQMQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3/c1-30(18-16-26(28)24-14-6-10-20-8-2-4-12-22(20)24)19-17-27(29)25-15-7-11-21-9-3-5-13-23(21)25/h2-15,26-27H,16-19,28-29H2,1H3.
What are the key properties of N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine?
N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine has a molecular weight of 397.57 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine is sourced from PubChem (CID 57188438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).