[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol

C14H27NO — CID 115247051

IUPAC[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol
SMILESCN(CC1CCCCC1)CC1(CO)CCC1
InChIInChI=1S/C14H27NO/c1-15(10-13-6-3-2-4-7-13)11-14(12-16)8-5-9-14/h13,16H,2-12H2,1H3
InChIKeyWLJVTBOKOPLTBV-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds5

About [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol

[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol (PubChem CID 115247051) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol
PubChem CID115247051
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol
SMILESCN(CC1CCCCC1)CC1(CO)CCC1
InChIInChI=1S/C14H27NO/c1-15(10-13-6-3-2-4-7-13)11-14(12-16)8-5-9-14/h13,16H,2-12H2,1H3
InChIKeyWLJVTBOKOPLTBV-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methanol
CID 62272579
[1-[[(4-aminocyclohexyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 56741237
[1-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]cyclobutyl]methanol
CID 115247057
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65009854
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63631821
[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115243609
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63633209
[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63747612
[1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methanol
CID 62265462
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 55125957
N-[[1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 63633194
[1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexyl]methanol
CID 79312845

Frequently Asked Questions

What is the IUPAC name of [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol (CID 115247051) is [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol is CN(CC1CCCCC1)CC1(CO)CCC1.
What is the InChIKey of [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol?
The InChIKey is WLJVTBOKOPLTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-15(10-13-6-3-2-4-7-13)11-14(12-16)8-5-9-14/h13,16H,2-12H2,1H3.
What are the key properties of [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol?
[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 115247051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).