1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine

C19H29N — CID 117431724

IUPAC1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(C3CCCC(C)(C)C3)c2)CC1
InChIInChI=1S/C19H29N/c1-14(20)19(10-11-19)17-8-4-6-15(12-17)16-7-5-9-18(2,3)13-16/h4,6,8,12,14,16H,5,7,9-11,13,20H2,1-3H3
InChIKeyHHSNDARNYVILQC-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.75
Rot. Bonds3

About 1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine

1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine (PubChem CID 117431724) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine
PubChem CID117431724
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(C3CCCC(C)(C)C3)c2)CC1
InChIInChI=1S/C19H29N/c1-14(20)19(10-11-19)17-8-4-6-15(12-17)16-7-5-9-18(2,3)13-16/h4,6,8,12,14,16H,5,7,9-11,13,20H2,1-3H3
InChIKeyHHSNDARNYVILQC-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol
CID 117363257
[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine
CID 117397255
2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol
CID 117372106
1-[3-(3,3-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanone
CID 117402794
1-[1-(3-cyclopropyloxyphenyl)cyclopropyl]ethanamine
CID 117309977
1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117301569
2-[[3-(3,3-dimethylcyclohexyl)phenyl]methyl]pyrrolidine
CID 117431700
1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine
CID 117312921
1-[1-(4-cyclopropylphenyl)cyclopentyl]ethanamine
CID 117047052
3-[1-(1-aminoethyl)cyclopropyl]benzonitrile
CID 117280517
1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117402808
1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117436696

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine (CID 117431724) is 1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine is CC(N)C1(c2cccc(C3CCCC(C)(C)C3)c2)CC1.
What is the InChIKey of 1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is HHSNDARNYVILQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-14(20)19(10-11-19)17-8-4-6-15(12-17)16-7-5-9-18(2,3)13-16/h4,6,8,12,14,16H,5,7,9-11,13,20H2,1-3H3.
What are the key properties of 1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine?
1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine has a molecular weight of 271.45 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117431724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).