[1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol

C13H28N2O — CID 79635540

IUPAC[1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol
SMILESCCC(C)N(CC)C1CCCC(N)(CO)C1
InChIInChI=1S/C13H28N2O/c1-4-11(3)15(5-2)12-7-6-8-13(14,9-12)10-16/h11-12,16H,4-10,14H2,1-3H3
InChIKeyDAJQOQRJFZOACY-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.74
Rot. Bonds5

About [1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol

[1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol (PubChem CID 79635540) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is [1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol
PubChem CID79635540
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name[1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol
SMILESCCC(C)N(CC)C1CCCC(N)(CO)C1
InChIInChI=1S/C13H28N2O/c1-4-11(3)15(5-2)12-7-6-8-13(14,9-12)10-16/h11-12,16H,4-10,14H2,1-3H3
InChIKeyDAJQOQRJFZOACY-UHFFFAOYSA-N
XLogP1.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol
CID 79640962
[1-amino-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol
CID 79640938
1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide
CID 79635988
[1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol
CID 79640620
[1-amino-3-[ethyl(2-methylbutyl)amino]cyclopentyl]methanol
CID 79645998
[1-amino-3-[propan-2-yl(propyl)amino]cyclopentyl]methanol
CID 79656528
[1-amino-3-(diethylamino)cyclopentyl]methanol
CID 79656193
[1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol
CID 79633787
[1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol
CID 79657029
N-butan-2-yl-N-ethylcyclopropanamine
CID 123791449
[1-amino-3-[cyclopentyl(methyl)amino]cyclopentyl]methanol
CID 79656037
[1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol
CID 79635025

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol?
The IUPAC name of [1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol (CID 79635540) is [1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol is CCC(C)N(CC)C1CCCC(N)(CO)C1.
What is the InChIKey of [1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol?
The InChIKey is DAJQOQRJFZOACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-11(3)15(5-2)12-7-6-8-13(14,9-12)10-16/h11-12,16H,4-10,14H2,1-3H3.
What are the key properties of [1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol?
[1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol has a molecular weight of 228.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 79635540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).