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

C18H27N — CID 117397255

IUPAC[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine
SMILESCC1(C)CCCC(c2cccc(C3(CN)CC3)c2)C1
InChIInChI=1S/C18H27N/c1-17(2)8-4-6-15(12-17)14-5-3-7-16(11-14)18(13-19)9-10-18/h3,5,7,11,15H,4,6,8-10,12-13,19H2,1-2H3
InChIKeyLFXLSUAKXAQRDQ-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.36
Rot. Bonds3

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

[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine (PubChem CID 117397255) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is [1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine
PubChem CID117397255
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine
SMILESCC1(C)CCCC(c2cccc(C3(CN)CC3)c2)C1
InChIInChI=1S/C18H27N/c1-17(2)8-4-6-15(12-17)14-5-3-7-16(11-14)18(13-19)9-10-18/h3,5,7,11,15H,4,6,8-10,12-13,19H2,1-2H3
InChIKeyLFXLSUAKXAQRDQ-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-cyclobutylphenyl)cyclobutyl]methanamine
CID 117307162
1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol
CID 117363257
1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine
CID 117431724
[1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine
CID 117399945
2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol
CID 117372106
[1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine
CID 117309887
[1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine
CID 84793975
1-[3-(3,3-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanone
CID 117402794
2-[[3-(3,3-dimethylcyclohexyl)phenyl]methyl]pyrrolidine
CID 117431700
[1-(4-cyclobutylphenyl)cyclopropyl]methanamine
CID 117290330
2-[(1S)-3,3-dimethylcyclohexyl]aniline
CID 125450095
[1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine
CID 70294454

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine (CID 117397255) is [1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine is CC1(C)CCCC(c2cccc(C3(CN)CC3)c2)C1.
What is the InChIKey of [1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine?
The InChIKey is LFXLSUAKXAQRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-17(2)8-4-6-15(12-17)14-5-3-7-16(11-14)18(13-19)9-10-18/h3,5,7,11,15H,4,6,8-10,12-13,19H2,1-2H3.
What are the key properties of [1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine?
[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine has a molecular weight of 257.42 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117397255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).