[1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol

C13H26N2O — CID 79633787

IUPAC[1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol
SMILESCN(CC1CCC1)C1CCCC(N)(CO)C1
InChIInChI=1S/C13H26N2O/c1-15(9-11-4-2-5-11)12-6-3-7-13(14,8-12)10-16/h11-12,16H,2-10,14H2,1H3
InChIKeyBYVBHKGMLXGLDN-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.35
Rot. Bonds4

About [1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol

[1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol (PubChem CID 79633787) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol
PubChem CID79633787
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol
SMILESCN(CC1CCC1)C1CCCC(N)(CO)C1
InChIInChI=1S/C13H26N2O/c1-15(9-11-4-2-5-11)12-6-3-7-13(14,8-12)10-16/h11-12,16H,2-10,14H2,1H3
InChIKeyBYVBHKGMLXGLDN-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol
CID 79635025
[1-amino-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol
CID 79640938
[1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol
CID 79640620
[1-amino-3-[cyclopentyl(methyl)amino]cyclopentyl]methanol
CID 79656037
3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79641441
[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656417
[1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol
CID 79635540
[1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
CID 79657036
[3-[cyclopentylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79656502
[1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol
CID 79640962
1-(cyclopropylamino)-3-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxamide
CID 79641404
3-[cyclopropylmethyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79641470

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol?
The IUPAC name of [1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol (CID 79633787) is [1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol is CN(CC1CCC1)C1CCCC(N)(CO)C1.
What is the InChIKey of [1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol?
The InChIKey is BYVBHKGMLXGLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(9-11-4-2-5-11)12-6-3-7-13(14,8-12)10-16/h11-12,16H,2-10,14H2,1H3.
What are the key properties of [1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol?
[1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol has a molecular weight of 226.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 79633787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).