1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine

C18H35N — CID 55196231

IUPAC1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine
SMILESCCCCC1CCC(CNC)(CC2CCCC2)CC1
InChIInChI=1S/C18H35N/c1-3-4-7-16-10-12-18(13-11-16,15-19-2)14-17-8-5-6-9-17/h16-17,19H,3-15H2,1-2H3
InChIKeyPNSDEFPMUNIHQT-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.15
Rot. Bonds7

About 1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine

1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 55196231) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine
PubChem CID55196231
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine
SMILESCCCCC1CCC(CNC)(CC2CCCC2)CC1
InChIInChI=1S/C18H35N/c1-3-4-7-16-10-12-18(13-11-16,15-19-2)14-17-8-5-6-9-17/h16-17,19H,3-15H2,1-2H3
InChIKeyPNSDEFPMUNIHQT-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 103984471
1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
CID 106456822
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574
1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 65166135
1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine
CID 113382951
butylcyclohexane;N-methylmethanamine
CID 174941558
1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine
CID 63775395
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 63523282
4-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]oxane
CID 66036427
1-[1-[(5-bromo-2-pyridinyl)methyl]-4-butylcyclohexyl]-N-methylmethanamine
CID 104810592

Frequently Asked Questions

What is the IUPAC name of 1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine (CID 55196231) is 1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine is CCCCC1CCC(CNC)(CC2CCCC2)CC1.
What is the InChIKey of 1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is PNSDEFPMUNIHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-3-4-7-16-10-12-18(13-11-16,15-19-2)14-17-8-5-6-9-17/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine?
1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 265.48 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 55196231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).