N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine

C18H27N — CID 79983701

IUPACN-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCc2ccc(C3CC3)cc2)C1
InChIInChI=1S/C18H27N/c1-2-14-4-3-5-18(12-14)19-13-15-6-8-16(9-7-15)17-10-11-17/h6-9,14,17-19H,2-5,10-13H2,1H3
InChIKeyMSZSOCBOSJEVGH-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.62
Rot. Bonds5

About N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine

N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine (PubChem CID 79983701) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
PubChem CID79983701
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCc2ccc(C3CC3)cc2)C1
InChIInChI=1S/C18H27N/c1-2-14-4-3-5-18(12-14)19-13-15-6-8-16(9-7-15)17-10-11-17/h6-9,14,17-19H,2-5,10-13H2,1H3
InChIKeyMSZSOCBOSJEVGH-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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Related Compounds

1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
CID 106899393
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol
CID 64742198
N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64743158
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64741035
4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline
CID 64500811
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 64743370
4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile
CID 64501740
N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64742190
methyl 4-[[(3-ethylcyclohexyl)amino]methyl]-2-fluorobenzoate
CID 106700127
3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine
CID 78999328

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine (CID 79983701) is N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine is CCC1CCCC(NCc2ccc(C3CC3)cc2)C1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine?
The InChIKey is MSZSOCBOSJEVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-14-4-3-5-18(12-14)19-13-15-6-8-16(9-7-15)17-10-11-17/h6-9,14,17-19H,2-5,10-13H2,1H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine?
N-[(4-cyclopropylphenyl)methyl]-3-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]-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 79983701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).