(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine

C19H31N — CID 116544530

IUPAC(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)C2CCC(C)(C)CC2)c1
InChIInChI=1S/C19H31N/c1-14(2)12-15-6-5-7-17(13-15)18(20)16-8-10-19(3,4)11-9-16/h5-7,13-14,16,18H,8-12,20H2,1-4H3
InChIKeyGLBVVISFFGRTDW-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.10
Rot. Bonds4

About (4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine

(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 116544530) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID116544530
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)C2CCC(C)(C)CC2)c1
InChIInChI=1S/C19H31N/c1-14(2)12-15-6-5-7-17(13-15)18(20)16-8-10-19(3,4)11-9-16/h5-7,13-14,16,18H,8-12,20H2,1-4H3
InChIKeyGLBVVISFFGRTDW-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
CID 116544545
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544532
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646
(S)-cyclopropyl-(3-ethylphenyl)methanamine
CID 131196510
[3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine
CID 116544898
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine
CID 105050818
(R)-cyclopropyl-[3-(methoxymethyl)phenyl]methanamine
CID 129411474
cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine
CID 4579734
4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
CID 116543004
[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine
CID 116544293
(2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544912

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine (CID 116544530) is (4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1cccc(C(N)C2CCC(C)(C)CC2)c1.
What is the InChIKey of (4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is GLBVVISFFGRTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14(2)12-15-6-5-7-17(13-15)18(20)16-8-10-19(3,4)11-9-16/h5-7,13-14,16,18H,8-12,20H2,1-4H3.
What are the key properties of (4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine?
(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 273.46 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 116544530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).