[1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol

C14H28N2O2 — CID 79635025

IUPAC[1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol
SMILESCN(CC1CCOCC1)C1CCCC(N)(CO)C1
InChIInChI=1S/C14H28N2O2/c1-16(10-12-4-7-18-8-5-12)13-3-2-6-14(15,9-13)11-17/h12-13,17H,2-11,15H2,1H3
InChIKeyJBSCPMBIZRKFKJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.98
Rot. Bonds4

About [1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol

[1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol (PubChem CID 79635025) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol
PubChem CID79635025
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol
SMILESCN(CC1CCOCC1)C1CCCC(N)(CO)C1
InChIInChI=1S/C14H28N2O2/c1-16(10-12-4-7-18-8-5-12)13-3-2-6-14(15,9-13)11-17/h12-13,17H,2-11,15H2,1H3
InChIKeyJBSCPMBIZRKFKJ-UHFFFAOYSA-N
XLogP0.98
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol
CID 79633787
[3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656830
N-methyl-N-(oxan-4-ylmethyl)cyclopropanamine
CID 70661195
[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-(oxan-4-ylmethoxy)cyclohexyl]methanol
CID 79640485
[1-amino-3-[cyclopentyl(methyl)amino]cyclopentyl]methanol
CID 79656037
[1-amino-3-[methyl(oxolan-3-yl)amino]cyclopentyl]methanol
CID 82745481
1-(ethylamino)-3-[methyl(oxan-4-ylmethyl)amino]cyclopentane-1-carboxylic acid
CID 79650862
2-(1-aminocyclobutyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
CID 79853707
[1-amino-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentyl]methanol
CID 79571201
(3R)-N-methyl-N-(oxan-4-ylmethyl)piperidin-3-amine
CID 86323316

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol?
The IUPAC name of [1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol (CID 79635025) is [1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol is CN(CC1CCOCC1)C1CCCC(N)(CO)C1.
What is the InChIKey of [1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol?
The InChIKey is JBSCPMBIZRKFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-16(10-12-4-7-18-8-5-12)13-3-2-6-14(15,9-13)11-17/h12-13,17H,2-11,15H2,1H3.
What are the key properties of [1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol?
[1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol has a molecular weight of 256.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 79635025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).