1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine

C17H27N — CID 112518490

IUPAC1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine
SMILESCCCCc1ccc(C2(CNC)CCCC2)cc1
InChIInChI=1S/C17H27N/c1-3-4-7-15-8-10-16(11-9-15)17(14-18-2)12-5-6-13-17/h8-11,18H,3-7,12-14H2,1-2H3
InChIKeyIWICFAHYAKKCEC-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.06
Rot. Bonds6

About 1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine

1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine (PubChem CID 112518490) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine
PubChem CID112518490
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine
SMILESCCCCc1ccc(C2(CNC)CCCC2)cc1
InChIInChI=1S/C17H27N/c1-3-4-7-15-8-10-16(11-9-15)17(14-18-2)12-5-6-13-17/h8-11,18H,3-7,12-14H2,1-2H3
InChIKeyIWICFAHYAKKCEC-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene
CID 177015911
[1-(4-propylphenyl)cyclohexyl]methanamine
CID 82495619
1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine
CID 116963591
methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate
CID 143039549
N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine
CID 112517810
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-ethyl-4-[1-[4-(1-heptylcyclohexyl)butyl]cyclohexyl]benzene
CID 173363076
[4-(1-heptylcyclohexyl)phenyl] 4-hexylbenzoate
CID 57221787
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine (CID 112518490) is 1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine is CCCCc1ccc(C2(CNC)CCCC2)cc1.
What is the InChIKey of 1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine?
The InChIKey is IWICFAHYAKKCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-4-7-15-8-10-16(11-9-15)17(14-18-2)12-5-6-13-17/h8-11,18H,3-7,12-14H2,1-2H3.
What are the key properties of 1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine?
1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine is sourced from PubChem (CID 112518490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).