2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C18H31N3 — CID 103188087

IUPAC2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1(CN)CCCc2ccccc21
InChIInChI=1S/C18H31N3/c1-5-21(15(2)13-20(3)4)18(14-19)12-8-10-16-9-6-7-11-17(16)18/h6-7,9,11,15H,5,8,10,12-14,19H2,1-4H3
InChIKeyWLYZFJRYVNUEIP-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.45
Rot. Bonds6

About 2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103188087) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103188087
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1(CN)CCCc2ccccc21
InChIInChI=1S/C18H31N3/c1-5-21(15(2)13-20(3)4)18(14-19)12-8-10-16-9-6-7-11-17(16)18/h6-7,9,11,15H,5,8,10,12-14,19H2,1-4H3
InChIKeyWLYZFJRYVNUEIP-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-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

1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine
CID 43265604
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 43271968
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 61438260
N,N-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine
CID 70072861
1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 43527448
1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine
CID 60710061
1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 61426621
[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 63521983
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
2-N-[1-(aminomethyl)cyclopropyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 106661407
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N',N'-diethylethane-1,2-diamine
CID 65383772

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103188087) is 2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(C(C)CN(C)C)C1(CN)CCCc2ccccc21.
What is the InChIKey of 2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is WLYZFJRYVNUEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-21(15(2)13-20(3)4)18(14-19)12-8-10-16-9-6-7-11-17(16)18/h6-7,9,11,15H,5,8,10,12-14,19H2,1-4H3.
What are the key properties of 2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103188087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).