N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine

C16H21N3 — CID 55174769

IUPACN'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
SMILESCc1cc2ccccc2nc1N(CCCN)C1CC1
InChIInChI=1S/C16H21N3/c1-12-11-13-5-2-3-6-15(13)18-16(12)19(10-4-9-17)14-7-8-14/h2-3,5-6,11,14H,4,7-10,17H2,1H3
InChIKeyLVHHYKQSXPIMAN-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.86
Rot. Bonds5

About N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine

N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine (PubChem CID 55174769) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
PubChem CID55174769
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
SMILESCc1cc2ccccc2nc1N(CCCN)C1CC1
InChIInChI=1S/C16H21N3/c1-12-11-13-5-2-3-6-15(13)18-16(12)19(10-4-9-17)14-7-8-14/h2-3,5-6,11,14H,4,7-10,17H2,1H3
InChIKeyLVHHYKQSXPIMAN-UHFFFAOYSA-N
XLogP2.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 102874684
N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine
CID 63388883
3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine
CID 61445208
N'-(2-aminoethyl)-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 63229201
N'-(4-methylcyclohexyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 64749659
N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788671
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 79712452
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine
CID 79712548
2-N-methyl-2-N-(3-methylquinolin-2-yl)propane-1,2-diamine
CID 104556733
N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine
CID 102871425
N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
CID 62785297
N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine
CID 102874494

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine (CID 55174769) is N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine is Cc1cc2ccccc2nc1N(CCCN)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine?
The InChIKey is LVHHYKQSXPIMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-11-13-5-2-3-6-15(13)18-16(12)19(10-4-9-17)14-7-8-14/h2-3,5-6,11,14H,4,7-10,17H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine?
N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine has a molecular weight of 255.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 55174769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).