N-[(4-butylphenyl)methyl]cyclohexanamine

C17H27N — CID 70837938

IUPACN-[(4-butylphenyl)methyl]cyclohexanamine
SMILESCCCCc1ccc(CNC2CCCCC2)cc1
InChIInChI=1S/C17H27N/c1-2-3-7-15-10-12-16(13-11-15)14-18-17-8-5-4-6-9-17/h10-13,17-18H,2-9,14H2,1H3
InChIKeyPYTHUACZTUKBIK-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.45
Rot. Bonds6

About N-[(4-butylphenyl)methyl]cyclohexanamine

N-[(4-butylphenyl)methyl]cyclohexanamine (PubChem CID 70837938) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(4-butylphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(4-butylphenyl)methyl]cyclohexanamine
PubChem CID70837938
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(4-butylphenyl)methyl]cyclohexanamine
SMILESCCCCc1ccc(CNC2CCCCC2)cc1
InChIInChI=1S/C17H27N/c1-2-3-7-15-10-12-16(13-11-15)14-18-17-8-5-4-6-9-17/h10-13,17-18H,2-9,14H2,1H3
InChIKeyPYTHUACZTUKBIK-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-butylphenyl)methyl]cyclobutanamine
CID 98783334
N-[(4-propylphenyl)methyl]cyclohexanamine
CID 94685509
1-N,2-N-bis[(4-butylphenyl)methyl]cyclohexane-1,2-diamine
CID 51040392
N-[2-(4-butylphenoxy)ethyl]cycloheptanamine
CID 115493422
N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 135174811
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine
CID 4719916
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine
CID 4722425
benzene;N-benzylcyclohexanamine
CID 142622843
1-(4-butylphenyl)-N'-cyclohexylmethanediamine
CID 175117275

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylphenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(4-butylphenyl)methyl]cyclohexanamine (CID 70837938) is N-[(4-butylphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(4-butylphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(4-butylphenyl)methyl]cyclohexanamine is CCCCc1ccc(CNC2CCCCC2)cc1.
What is the InChIKey of N-[(4-butylphenyl)methyl]cyclohexanamine?
The InChIKey is PYTHUACZTUKBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-2-3-7-15-10-12-16(13-11-15)14-18-17-8-5-4-6-9-17/h10-13,17-18H,2-9,14H2,1H3.
What are the key properties of N-[(4-butylphenyl)methyl]cyclohexanamine?
N-[(4-butylphenyl)methyl]cyclohexanamine has a molecular weight of 245.41 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 70837938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).