2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine

C24H31N3 — CID 166383106

IUPAC2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine
SMILESCCCCCc1cc(NCC(C)N(C)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C24H31N3/c1-4-5-7-12-20-17-24(22-15-10-11-16-23(22)26-20)25-18-19(2)27(3)21-13-8-6-9-14-21/h6,8-11,13-17,19H,4-5,7,12,18H2,1-3H3,(H,25,26)
InChIKeyPFTXNDYIVPFOSO-UHFFFAOYSA-N
MW361.53 g/mol
LogP5.90
Rot. Bonds9

About 2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine

2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine (PubChem CID 166383106) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine
PubChem CID166383106
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC Name2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine
SMILESCCCCCc1cc(NCC(C)N(C)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C24H31N3/c1-4-5-7-12-20-17-24(22-15-10-11-16-23(22)26-20)25-18-19(2)27(3)21-13-8-6-9-14-21/h6,8-11,13-17,19H,4-5,7,12,18H2,1-3H3,(H,25,26)
InChIKeyPFTXNDYIVPFOSO-UHFFFAOYSA-N
XLogP5.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine
CID 166382392
4-ethyl-2-hexylquinoline
CID 143260250
2-nonylquinolin-4-olate
CID 162840210
2-pentylquinolin-4-amine
CID 14082309
2-hexyl-4-methylquinoline
CID 504074
4-chloro-2-decylquinoline
CID 171487257
N-(2-methylpropyl)-2-[(2-propylquinolin-4-yl)amino]acetamide
CID 133405225
5-[(2-ethylquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 133402239
4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one
CID 166383100
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
2-N-methyl-1-N-[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]-2-N-phenylpropane-1,2-diamine
CID 166383109
3-[(2-propylquinolin-4-yl)amino]propanoic acid
CID 122048260

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine (CID 166383106) is 2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine is CCCCCc1cc(NCC(C)N(C)c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine?
The InChIKey is PFTXNDYIVPFOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3/c1-4-5-7-12-20-17-24(22-15-10-11-16-23(22)26-20)25-18-19(2)27(3)21-13-8-6-9-14-21/h6,8-11,13-17,19H,4-5,7,12,18H2,1-3H3,(H,25,26).
What are the key properties of 2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine?
2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine has a molecular weight of 361.53 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(2-pentylquinolin-4-yl)-2-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 166383106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).