(4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine

C18H27N — CID 107000898

IUPAC(4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine
SMILESCC1(C)CC1C(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H27N/c1-18(2)12-16(18)17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13,16-17H,3-7,12,19H2,1-2H3
InChIKeyHNVWNQVYOINPAV-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.78
Rot. Bonds3

About (4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine

(4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine (PubChem CID 107000898) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine
PubChem CID107000898
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name(4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine
SMILESCC1(C)CC1C(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H27N/c1-18(2)12-16(18)17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13,16-17H,3-7,12,19H2,1-2H3
InChIKeyHNVWNQVYOINPAV-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine
CID 105045090
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075
(4-cyclohexylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 79094080
1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine
CID 115005957
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
(4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine
CID 62798687
2-amino-2-(4-cyclohexylphenyl)acetamide
CID 116850743
(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
CID 66512949

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The IUPAC name of (4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine (CID 107000898) is (4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine.
What is the SMILES notation for (4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The canonical SMILES for (4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine is CC1(C)CC1C(N)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The InChIKey is HNVWNQVYOINPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-18(2)12-16(18)17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13,16-17H,3-7,12,19H2,1-2H3.
What are the key properties of (4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine?
(4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine has a molecular weight of 257.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine is sourced from PubChem (CID 107000898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).