[4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine

C19H31N — CID 59546082

IUPAC[4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine
SMILESCCCCc1ccc(CCC2CCC(CN)CC2)cc1
InChIInChI=1S/C19H31N/c1-2-3-4-16-5-7-17(8-6-16)9-10-18-11-13-19(15-20)14-12-18/h5-8,18-19H,2-4,9-15,20H2,1H3
InChIKeyBNNSNFSMPODACD-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.73
Rot. Bonds7

About [4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine

[4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine (PubChem CID 59546082) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is [4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine
PubChem CID59546082
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name[4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine
SMILESCCCCc1ccc(CCC2CCC(CN)CC2)cc1
InChIInChI=1S/C19H31N/c1-2-3-4-16-5-7-17(8-6-16)9-10-18-11-13-19(15-20)14-12-18/h5-8,18-19H,2-4,9-15,20H2,1H3
InChIKeyBNNSNFSMPODACD-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
4-[2-(4-butylcyclohexyl)ethyl]benzenethiol
CID 173376094
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
4-[4-(4-pentylcyclohexyl)butyl]phenol
CID 19371124
4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzoic acid
CID 153328423
5-[4-[2-(4-butylphenyl)ethyl]cyclohexyl]-2-fluoropent-2-enenitrile
CID 54245341
1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54560708
ethyl 4-[2-(4-pentylcyclohexyl)ethyl]benzoate
CID 57323154
5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839743
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 14439252

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine (CID 59546082) is [4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine is CCCCc1ccc(CCC2CCC(CN)CC2)cc1.
What is the InChIKey of [4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine?
The InChIKey is BNNSNFSMPODACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-2-3-4-16-5-7-17(8-6-16)9-10-18-11-13-19(15-20)14-12-18/h5-8,18-19H,2-4,9-15,20H2,1H3.
What are the key properties of [4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine?
[4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine has a molecular weight of 273.46 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 59546082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).