N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine

C16H21N3 — CID 102874684

IUPACN'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
SMILESCc1cc2ccccc2nc1N(CCN)C1CCC1
InChIInChI=1S/C16H21N3/c1-12-11-13-5-2-3-8-15(13)18-16(12)19(10-9-17)14-6-4-7-14/h2-3,5,8,11,14H,4,6-7,9-10,17H2,1H3
InChIKeyRGNJOAGDTXCDFN-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.86
Rot. Bonds4

About N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine

N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine (PubChem CID 102874684) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
PubChem CID102874684
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
SMILESCc1cc2ccccc2nc1N(CCN)C1CCC1
InChIInChI=1S/C16H21N3/c1-12-11-13-5-2-3-8-15(13)18-16(12)19(10-9-17)14-6-4-7-14/h2-3,5,8,11,14H,4,6-7,9-10,17H2,1H3
InChIKeyRGNJOAGDTXCDFN-UHFFFAOYSA-N
XLogP2.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 55174769
N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine
CID 63388883
N'-(2-aminoethyl)-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 63229201
3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine
CID 43614276
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine
CID 79717543
3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine
CID 61445208
3-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylquinolin-2-amine
CID 63783602
3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine
CID 43541407
2-N-methyl-2-N-(3-methylquinolin-2-yl)propane-1,2-diamine
CID 104556733
N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine
CID 55218668
N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine
CID 102871425
2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile
CID 102862336

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine (CID 102874684) is N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine is Cc1cc2ccccc2nc1N(CCN)C1CCC1.
What is the InChIKey of N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine?
The InChIKey is RGNJOAGDTXCDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-11-13-5-2-3-8-15(13)18-16(12)19(10-9-17)14-6-4-7-14/h2-3,5,8,11,14H,4,6-7,9-10,17H2,1H3.
What are the key properties of N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine?
N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine has a molecular weight of 255.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 102874684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).