trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine

C16H21N3 — CID 93453736

IUPACtrans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
SMILESCc1cc(N[C@@H]2CCCC[C@H]2N)c2ccccc2n1
InChIInChI=1S/C16H21N3/c1-11-10-16(12-6-2-4-8-14(12)18-11)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)/t13-,15-/m1/s1
InChIKeyYOMHAMWQUBCLLQ-UKRRQHHQSA-N
MW255.37 g/mol
LogP3.23
Rot. Bonds2

About trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine

trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine (PubChem CID 93453736) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
PubChem CID93453736
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Nametrans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
SMILESCc1cc(N[C@@H]2CCCC[C@H]2N)c2ccccc2n1
InChIInChI=1S/C16H21N3/c1-11-10-16(12-6-2-4-8-14(12)18-11)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)/t13-,15-/m1/s1
InChIKeyYOMHAMWQUBCLLQ-UKRRQHHQSA-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

N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine
CID 65028937
N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide
CID 61038363
N-(3-ethyl-2-methylcyclopentyl)-2-methylquinolin-4-amine
CID 64923562
2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine
CID 63229478
2-amino-N-(2-methylquinolin-4-yl)cyclopentane-1-carboxamide
CID 64817916
1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine
CID 63258631
2-methyl-N-(3-methylcyclohexyl)quinolin-4-amine
CID 43428308
3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine
CID 97164701
N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine
CID 61223865
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376301
2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-4-amine
CID 79363261

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine (CID 93453736) is trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine is Cc1cc(N[C@@H]2CCCC[C@H]2N)c2ccccc2n1.
What is the InChIKey of trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine?
The InChIKey is YOMHAMWQUBCLLQ-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-10-16(12-6-2-4-8-14(12)18-11)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)/t13-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-(2-methylquinolin-4-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 trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 93453736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).