[2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine

C19H29N — CID 116507076

IUPAC[2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCC(CN)C(c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C19H29N/c1-19(2)11-10-17(13-20)18(12-19)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,14,17-18H,3-5,10-13,20H2,1-2H3
InChIKeyIBDDZHKYUGEZCR-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.82
Rot. Bonds3

About [2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine

[2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine (PubChem CID 116507076) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is [2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine
PubChem CID116507076
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name[2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCC(CN)C(c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C19H29N/c1-19(2)11-10-17(13-20)18(12-19)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,14,17-18H,3-5,10-13,20H2,1-2H3
InChIKeyIBDDZHKYUGEZCR-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine
CID 81012063
[2-(4-cyclobutylphenyl)cycloheptyl]methanamine
CID 116507071
[2-(5-chlorothiophen-2-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81011753
[4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methanamine
CID 113297409
[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012513
[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81012812
[2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine
CID 81011493
1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
CID 81031001
[(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene
CID 173403307
1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine
CID 81021876
[2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine
CID 106882861
[2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine
CID 104663423

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine (CID 116507076) is [2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine is CC1(C)CCC(CN)C(c2ccc(C3CCC3)cc2)C1.
What is the InChIKey of [2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is IBDDZHKYUGEZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-19(2)11-10-17(13-20)18(12-19)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,14,17-18H,3-5,10-13,20H2,1-2H3.
What are the key properties of [2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine?
[2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 271.45 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 116507076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).