4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine

C17H23N3 — CID 105378440

IUPAC4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
SMILESCc1ccc2cc(CNC3CCC(N)CC3)ccc2n1
InChIInChI=1S/C17H23N3/c1-12-2-4-14-10-13(3-9-17(14)20-12)11-19-16-7-5-15(18)6-8-16/h2-4,9-10,15-16,19H,5-8,11,18H2,1H3
InChIKeyFTDNYPRKLADWDU-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.90
Rot. Bonds3

About 4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine

4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 105378440) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
PubChem CID105378440
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
SMILESCc1ccc2cc(CNC3CCC(N)CC3)ccc2n1
InChIInChI=1S/C17H23N3/c1-12-2-4-14-10-13(3-9-17(14)20-12)11-19-16-7-5-15(18)6-8-16/h2-4,9-10,15-16,19H,5-8,11,18H2,1H3
InChIKeyFTDNYPRKLADWDU-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
CID 105379010
2,2-dimethyl-N-[(2-methylquinolin-6-yl)methyl]oxan-4-amine
CID 105378639
2,2-dimethyl-N-[(2-methylquinolin-6-yl)methyl]cyclopentan-1-amine
CID 105378566
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
(3S)-N-[(2-methylquinolin-6-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 100642514
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313670
2-[cyclopropylmethyl-[3-[(2-methylquinolin-6-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041663
N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine
CID 105378694
N-[(3-methylquinolin-6-yl)methyl]cyclopropanamine
CID 116997781
3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 106008790
N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride
CID 120841570
6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one
CID 126805966

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine (CID 105378440) is 4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine is Cc1ccc2cc(CNC3CCC(N)CC3)ccc2n1.
What is the InChIKey of 4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is FTDNYPRKLADWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-2-4-14-10-13(3-9-17(14)20-12)11-19-16-7-5-15(18)6-8-16/h2-4,9-10,15-16,19H,5-8,11,18H2,1H3.
What are the key properties of 4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine?
4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 269.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 105378440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).