1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine

C18H35NO — CID 65166135

IUPAC1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
SMILESCCCCC1CCC(CCC2CCCO2)(CNC)CC1
InChIInChI=1S/C18H35NO/c1-3-4-6-16-8-11-18(12-9-16,15-19-2)13-10-17-7-5-14-20-17/h16-17,19H,3-15H2,1-2H3
InChIKeyVVIXQXABUKRSKB-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.53
Rot. Bonds8

About 1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine

1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine (PubChem CID 65166135) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
PubChem CID65166135
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
SMILESCCCCC1CCC(CCC2CCCO2)(CNC)CC1
InChIInChI=1S/C18H35NO/c1-3-4-6-16-8-11-18(12-9-16,15-19-2)13-10-17-7-5-14-20-17/h16-17,19H,3-15H2,1-2H3
InChIKeyVVIXQXABUKRSKB-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol
CID 66026294
N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63521135
4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65170355
1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine
CID 55196231
1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
CID 106456822
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574
2-butyloxolane;pentylcyclopentane
CID 143579314
1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 103984471
N-[[1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 65166242
N-methyl-1-[1-(oxolan-2-ylmethyl)cyclopropyl]methanamine
CID 66025753
1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine
CID 63775395
1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine
CID 113382951

Frequently Asked Questions

What is the IUPAC name of 1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine (CID 65166135) is 1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine is CCCCC1CCC(CCC2CCCO2)(CNC)CC1.
What is the InChIKey of 1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is VVIXQXABUKRSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-4-6-16-8-11-18(12-9-16,15-19-2)13-10-17-7-5-14-20-17/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine?
1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 281.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 65166135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).