1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine

C18H27N — CID 117397294

IUPAC1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine
SMILESCC1(C)CCCC(c2ccc(CC3(N)CC3)cc2)C1
InChIInChI=1S/C18H27N/c1-17(2)9-3-4-16(13-17)15-7-5-14(6-8-15)12-18(19)10-11-18/h5-8,16H,3-4,9-13,19H2,1-2H3
InChIKeySXEZOPAFFAEPOQ-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.40
Rot. Bonds3

About 1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine

1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117397294) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117397294
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine
SMILESCC1(C)CCCC(c2ccc(CC3(N)CC3)cc2)C1
InChIInChI=1S/C18H27N/c1-17(2)9-3-4-16(13-17)15-7-5-14(6-8-15)12-18(19)10-11-18/h5-8,16H,3-4,9-13,19H2,1-2H3
InChIKeySXEZOPAFFAEPOQ-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(3,3-dimethylcyclohexyl)phenyl]propanal
CID 117363267
2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine
CID 117460005
1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine
CID 117363380
2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol
CID 117368882
[1-amino-3-(4-octylphenyl)cyclohexyl]methanol
CID 68937152
1-(3,3-dimethylcyclohexyl)-4-(1-isocyanatocyclobutyl)benzene
CID 117455796
3-[4-(3,3-dimethylcyclohexyl)phenyl]butanal
CID 117399936
1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 65477877
3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid
CID 117484278
[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine
CID 117397255
4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol
CID 80693061
1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine
CID 117371295

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine (CID 117397294) is 1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine is CC1(C)CCCC(c2ccc(CC3(N)CC3)cc2)C1.
What is the InChIKey of 1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is SXEZOPAFFAEPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-17(2)9-3-4-16(13-17)15-7-5-14(6-8-15)12-18(19)10-11-18/h5-8,16H,3-4,9-13,19H2,1-2H3.
What are the key properties of 1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine?
1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117397294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).