(2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine

C18H29N — CID 107191314

IUPAC(2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)C2CCCCC2(C)C)c1
InChIInChI=1S/C18H29N/c1-4-8-14-9-7-10-15(13-14)17(19)16-11-5-6-12-18(16,2)3/h7,9-10,13,16-17H,4-6,8,11-12,19H2,1-3H3
InChIKeyGPPUBHGTIRTMCL-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.86
Rot. Bonds4

About (2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine

(2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine (PubChem CID 107191314) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine
PubChem CID107191314
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)C2CCCCC2(C)C)c1
InChIInChI=1S/C18H29N/c1-4-8-14-9-7-10-15(13-14)17(19)16-11-5-6-12-18(16,2)3/h7,9-10,13,16-17H,4-6,8,11-12,19H2,1-3H3
InChIKeyGPPUBHGTIRTMCL-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191370
(2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107188677
2-cycloheptyl-1-(3-propylphenyl)ethanamine
CID 105050523
(3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105188014
[(1-methylcyclopentyl)-(3-propylphenyl)methyl]hydrazine
CID 105340495
(3-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105187981
(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107177030
N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 107177413
(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
CID 107176964
[cyclopentyl-(3-propylphenyl)methyl]hydrazine
CID 105204459
2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine
CID 116545069
1-(3-propylphenyl)ethanamine
CID 116543909

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine?
The IUPAC name of (2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine (CID 107191314) is (2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine is CCCc1cccc(C(N)C2CCCCC2(C)C)c1.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine?
The InChIKey is GPPUBHGTIRTMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-8-14-9-7-10-15(13-14)17(19)16-11-5-6-12-18(16,2)3/h7,9-10,13,16-17H,4-6,8,11-12,19H2,1-3H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine?
(2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine has a molecular weight of 259.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine is sourced from PubChem (CID 107191314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).