1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine

C16H23N — CID 117331180

IUPAC1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cccc(C3CCCCC3)c2)CC1
InChIInChI=1S/C16H23N/c17-16(9-10-16)12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h4-5,8,11,14H,1-3,6-7,9-10,12,17H2
InChIKeyNKYZOXZLKGTNFU-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.77
Rot. Bonds3

About 1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine

1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117331180) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine
PubChem CID117331180
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cccc(C3CCCCC3)c2)CC1
InChIInChI=1S/C16H23N/c17-16(9-10-16)12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h4-5,8,11,14H,1-3,6-7,9-10,12,17H2
InChIKeyNKYZOXZLKGTNFU-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine
CID 117333062
(3-cyclohexylphenyl)methanethiol
CID 22000684
(3-cycloheptylphenyl)methanol
CID 84672634
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
1-(3-cycloheptylphenyl)cyclopentan-1-amine
CID 117397299
2-(3-cyclobutylphenyl)ethanamine
CID 83827556
4-(3-cyclopentylphenyl)butan-1-amine
CID 117310057
3-(3-cycloheptylphenyl)propanal
CID 117332990
3-cycloheptylaniline
CID 22019641
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide
CID 115056055
1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine
CID 117371294
2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone
CID 114607601

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine (CID 117331180) is 1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine is NC1(Cc2cccc(C3CCCCC3)c2)CC1.
What is the InChIKey of 1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is NKYZOXZLKGTNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c17-16(9-10-16)12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h4-5,8,11,14H,1-3,6-7,9-10,12,17H2.
What are the key properties of 1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine?
1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117331180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).