2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine

C16H21N3 — CID 63229478

IUPAC2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine
SMILESCc1cc2ccccc2nc1NC1CCCCC1N
InChIInChI=1S/C16H21N3/c1-11-10-12-6-2-4-8-14(12)18-16(11)19-15-9-5-3-7-13(15)17/h2,4,6,8,10,13,15H,3,5,7,9,17H2,1H3,(H,18,19)
InChIKeyHMIBGKMEYMTOIL-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.23
Rot. Bonds2

About 2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine

2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine (PubChem CID 63229478) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine
PubChem CID63229478
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine
SMILESCc1cc2ccccc2nc1NC1CCCCC1N
InChIInChI=1S/C16H21N3/c1-11-10-12-6-2-4-8-14(12)18-16(11)19-15-9-5-3-7-13(15)17/h2,4,6,8,10,13,15H,3,5,7,9,17H2,1H3,(H,18,19)
InChIKeyHMIBGKMEYMTOIL-UHFFFAOYSA-N
XLogP3.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol
CID 63229228
1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine
CID 63258631
2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide
CID 102738838
3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine
CID 97164701
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine
CID 63229307
2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 71644138
trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 97165233
3-N-(2-aminocyclohexyl)quinoxaline-2,3-diamine;hydrochloride
CID 71644139
2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 71643079
cis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 97164902
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine
CID 63229349
cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 97163468

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine (CID 63229478) is 2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine is Cc1cc2ccccc2nc1NC1CCCCC1N.
What is the InChIKey of 2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine?
The InChIKey is HMIBGKMEYMTOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-10-12-6-2-4-8-14(12)18-16(11)19-15-9-5-3-7-13(15)17/h2,4,6,8,10,13,15H,3,5,7,9,17H2,1H3,(H,18,19).
What are the key properties of 2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine?
2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 63229478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).