N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine

C19H29N — CID 116505979

IUPACN-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)C1CCCCC1
InChIInChI=1S/C19H29N/c1-2-20-19(17-7-4-3-5-8-17)18-13-11-16(12-14-18)15-9-6-10-15/h11-15,17,19-20H,2-10H2,1H3
InChIKeyBVMOVUPEAONCDJ-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.18
Rot. Bonds5

About N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine

N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine (PubChem CID 116505979) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
PubChem CID116505979
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)C1CCCCC1
InChIInChI=1S/C19H29N/c1-2-20-19(17-7-4-3-5-8-17)18-13-11-16(12-14-18)15-9-6-10-15/h11-15,17,19-20H,2-10H2,1H3
InChIKeyBVMOVUPEAONCDJ-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 116506045
N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine
CID 105044882
N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 116506203
1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 43484996
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cycloheptyl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 105027812
N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63508835
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157
1-(4-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 116505983
N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 114981675
N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
CID 65399024

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine?
The IUPAC name of N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine (CID 116505979) is N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine.
What is the SMILES notation for N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine?
The canonical SMILES for N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine is CCNC(c1ccc(C2CCC2)cc1)C1CCCCC1.
What is the InChIKey of N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine?
The InChIKey is BVMOVUPEAONCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-2-20-19(17-7-4-3-5-8-17)18-13-11-16(12-14-18)15-9-6-10-15/h11-15,17,19-20H,2-10H2,1H3.
What are the key properties of N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine?
N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine has a molecular weight of 271.45 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine is sourced from PubChem (CID 116505979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).