2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine

C16H23N3 — CID 79093692

IUPAC2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine
SMILESCCNC(Cc1ccc2ccccc2n1)CN(C)C
InChIInChI=1S/C16H23N3/c1-4-17-15(12-19(2)3)11-14-10-9-13-7-5-6-8-16(13)18-14/h5-10,15,17H,4,11-12H2,1-3H3
InChIKeyNXCGSOMPPBKZIM-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.32
Rot. Bonds6

About 2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine (PubChem CID 79093692) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine
PubChem CID79093692
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine
SMILESCCNC(Cc1ccc2ccccc2n1)CN(C)C
InChIInChI=1S/C16H23N3/c1-4-17-15(12-19(2)3)11-14-10-9-13-7-5-6-8-16(13)18-14/h5-10,15,17H,4,11-12H2,1-3H3
InChIKeyNXCGSOMPPBKZIM-UHFFFAOYSA-N
XLogP2.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-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

N-ethyl-1-quinolin-2-ylpent-4-en-2-amine
CID 116660895
N-propyl-1-quinolin-2-ylpentan-2-amine
CID 63198598
2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79748096
N-(quinolin-2-ylmethyl)pentan-3-amine
CID 28774778
1-quinolin-2-ylhexan-2-ylhydrazine
CID 105245631
N-propyl-1-quinolin-2-ylpent-4-en-2-amine
CID 116661099
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-quinolin-2-ylethanamine
CID 107001995
(4-methyl-1-quinolin-2-ylpentan-2-yl)hydrazine
CID 105198882
N-ethyl-3-methoxy-3-methyl-1-quinolin-2-ylpentan-2-amine
CID 116758103
1-(2-chlorofuran-3-yl)-N-ethyl-2-quinolin-2-ylethanamine
CID 106688064
3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093309
N-ethyl-1-quinoxalin-2-ylpentan-2-amine
CID 63198268

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine (CID 79093692) is 2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine is CCNC(Cc1ccc2ccccc2n1)CN(C)C.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine?
The InChIKey is NXCGSOMPPBKZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-17-15(12-19(2)3)11-14-10-9-13-7-5-6-8-16(13)18-14/h5-10,15,17H,4,11-12H2,1-3H3.
What are the key properties of 2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine has a molecular weight of 257.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine is sourced from PubChem (CID 79093692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).