N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine

C18H27N — CID 79979070

IUPACN-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCc1ccc(C2CC2)cc1
InChIInChI=1S/C18H27N/c1-2-15-5-3-4-6-18(15)19-13-14-7-9-16(10-8-14)17-11-12-17/h7-10,15,17-19H,2-6,11-13H2,1H3
InChIKeyJNSJELHNWLUQFW-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.62
Rot. Bonds5

About N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine

N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine (PubChem CID 79979070) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine
PubChem CID79979070
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCc1ccc(C2CC2)cc1
InChIInChI=1S/C18H27N/c1-2-15-5-3-4-6-18(15)19-13-14-7-9-16(10-8-14)17-11-12-17/h7-10,15,17-19H,2-6,11-13H2,1H3
InChIKeyJNSJELHNWLUQFW-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine (CID 79979070) is N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine is CCC1CCCCC1NCc1ccc(C2CC2)cc1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine?
The InChIKey is JNSJELHNWLUQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-15-5-3-4-6-18(15)19-13-14-7-9-16(10-8-14)17-11-12-17/h7-10,15,17-19H,2-6,11-13H2,1H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine?
N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 79979070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).