1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine

C17H22N2 — CID 43216158

IUPAC1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
SMILESc1ccc2nc(CNCC3CCCCC3)ccc2c1
InChIInChI=1S/C17H22N2/c1-2-6-14(7-3-1)12-18-13-16-11-10-15-8-4-5-9-17(15)19-16/h4-5,8-11,14,18H,1-3,6-7,12-13H2
InChIKeyXKPUKUGVABQXMX-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.90
Rot. Bonds4

About 1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine

1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine (PubChem CID 43216158) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
PubChem CID43216158
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
SMILESc1ccc2nc(CNCC3CCCCC3)ccc2c1
InChIInChI=1S/C17H22N2/c1-2-6-14(7-3-1)12-18-13-16-11-10-15-8-4-5-9-17(15)19-16/h4-5,8-11,14,18H,1-3,6-7,12-13H2
InChIKeyXKPUKUGVABQXMX-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylcyclohexyl)-N-(quinolin-2-ylmethyl)methanamine
CID 63491346
3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 103698449
N-(quinolin-2-ylmethyl)cyclohexanamine
CID 28774764
trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine
CID 70905536
1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine
CID 81039352
1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
CID 58622263
1-(2,2-dimethylcyclopropyl)-N-(quinolin-2-ylmethyl)methanamine
CID 103699442
2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine
CID 103699309
N-(quinolin-2-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352821
1-cyclopropyl-2-(quinolin-2-ylmethylamino)ethanol
CID 63298862
2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide
CID 163817075
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine (CID 43216158) is 1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine is c1ccc2nc(CNCC3CCCCC3)ccc2c1.
What is the InChIKey of 1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine?
The InChIKey is XKPUKUGVABQXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-6-14(7-3-1)12-18-13-16-11-10-15-8-4-5-9-17(15)19-16/h4-5,8-11,14,18H,1-3,6-7,12-13H2.
What are the key properties of 1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine?
1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine has a molecular weight of 254.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine is sourced from PubChem (CID 43216158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).