N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine

C18H27N — CID 79984326

IUPACN-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1ccccc1C1CC1
InChIInChI=1S/C18H27N/c1-18(2)12-6-5-9-17(18)19-13-15-7-3-4-8-16(15)14-10-11-14/h3-4,7-8,14,17,19H,5-6,9-13H2,1-2H3
InChIKeyJAICYAXWRZAUCL-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.62
Rot. Bonds4

About N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine

N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79984326) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79984326
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1ccccc1C1CC1
InChIInChI=1S/C18H27N/c1-18(2)12-6-5-9-17(18)19-13-15-7-3-4-8-16(15)14-10-11-14/h3-4,7-8,14,17,19H,5-6,9-13H2,1-2H3
InChIKeyJAICYAXWRZAUCL-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine (CID 79984326) is N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1NCc1ccccc1C1CC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is JAICYAXWRZAUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-18(2)12-6-5-9-17(18)19-13-15-7-3-4-8-16(15)14-10-11-14/h3-4,7-8,14,17,19H,5-6,9-13H2,1-2H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79984326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).