2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine

C19H26N2 — CID 78952536

IUPAC2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
SMILESCC(C)C1CCCCC1NCc1ccnc2ccccc12
InChIInChI=1S/C19H26N2/c1-14(2)16-7-3-5-9-18(16)21-13-15-11-12-20-19-10-6-4-8-17(15)19/h4,6,8,10-12,14,16,18,21H,3,5,7,9,13H2,1-2H3
InChIKeyJCAAIJPZEGFOQH-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.54
Rot. Bonds4

About 2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine

2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine (PubChem CID 78952536) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
PubChem CID78952536
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
SMILESCC(C)C1CCCCC1NCc1ccnc2ccccc12
InChIInChI=1S/C19H26N2/c1-14(2)16-7-3-5-9-18(16)21-13-15-11-12-20-19-10-6-4-8-17(15)19/h4,6,8,10-12,14,16,18,21H,3,5,7,9,13H2,1-2H3
InChIKeyJCAAIJPZEGFOQH-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
2,2-dimethyl-N-(quinolin-4-ylmethyl)cyclopropan-1-amine
CID 55258797
1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine
CID 115619138
3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 81435291
N-methyl-1-(2-methylcyclopentyl)-2-quinolin-4-ylethanamine
CID 107189504
3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine
CID 63852270
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 112607156
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148
4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
CID 143524850
3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine
CID 103917632
(3-cyclopropyl-1-quinolin-4-ylbutan-2-yl)hydrazine
CID 105316345

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine (CID 78952536) is 2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine is CC(C)C1CCCCC1NCc1ccnc2ccccc12.
What is the InChIKey of 2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is JCAAIJPZEGFOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14(2)16-7-3-5-9-18(16)21-13-15-11-12-20-19-10-6-4-8-17(15)19/h4,6,8,10-12,14,16,18,21H,3,5,7,9,13H2,1-2H3.
What are the key properties of 2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine?
2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 78952536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).