3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine

C18H24N2 — CID 81435291

IUPAC3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CCCC(NCc2ccnc3ccccc23)C1
InChIInChI=1S/C18H24N2/c1-18(2)10-5-6-15(12-18)20-13-14-9-11-19-17-8-4-3-7-16(14)17/h3-4,7-9,11,15,20H,5-6,10,12-13H2,1-2H3
InChIKeyRQEJKHLJTZXDIP-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.29
Rot. Bonds3

About 3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine

3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine (PubChem CID 81435291) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
PubChem CID81435291
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CCCC(NCc2ccnc3ccccc23)C1
InChIInChI=1S/C18H24N2/c1-18(2)10-5-6-15(12-18)20-13-14-9-11-19-17-8-4-3-7-16(14)17/h3-4,7-9,11,15,20H,5-6,10,12-13H2,1-2H3
InChIKeyRQEJKHLJTZXDIP-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol
CID 81422757
2,2-dimethyl-N-(quinolin-4-ylmethyl)cyclopropan-1-amine
CID 55258797
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 82760539
2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 78952536
3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine
CID 103917632
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79763760
N-(quinolin-4-ylmethyl)ethenamine
CID 166934821
[1-(2,2-dimethylcyclopentyl)-2-quinolin-4-ylethyl]hydrazine
CID 107194203
3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 81428857
N-(3,3-dimethylcyclopentyl)quinolin-5-amine
CID 80693374

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine (CID 81435291) is 3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine is CC1(C)CCCC(NCc2ccnc3ccccc23)C1.
What is the InChIKey of 3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is RQEJKHLJTZXDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(2)10-5-6-15(12-18)20-13-14-9-11-19-17-8-4-3-7-16(14)17/h3-4,7-9,11,15,20H,5-6,10,12-13H2,1-2H3.
What are the key properties of 3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine?
3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 81435291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).