[1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol

C15H32N2O — CID 79640620

IUPAC[1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol
SMILESCC(C)CN(CC(C)C)C1CCCC(N)(CO)C1
InChIInChI=1S/C15H32N2O/c1-12(2)9-17(10-13(3)4)14-6-5-7-15(16,8-14)11-18/h12-14,18H,5-11,16H2,1-4H3
InChIKeyIEODVSSLZGXNIJ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.23
Rot. Bonds6

About [1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol

[1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol (PubChem CID 79640620) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is [1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol
PubChem CID79640620
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name[1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol
SMILESCC(C)CN(CC(C)C)C1CCCC(N)(CO)C1
InChIInChI=1S/C15H32N2O/c1-12(2)9-17(10-13(3)4)14-6-5-7-15(16,8-14)11-18/h12-14,18H,5-11,16H2,1-4H3
InChIKeyIEODVSSLZGXNIJ-UHFFFAOYSA-N
XLogP2.23
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.23
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-[butan-2-yl(ethyl)amino]cyclohexyl]methanol
CID 79635540
[1-amino-3-[ethyl(2-methylbutyl)amino]cyclopentyl]methanol
CID 79645998
[1-amino-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol
CID 79640938
[1-amino-3-(diethylamino)cyclopentyl]methanol
CID 79656193
[1-amino-3-[cyclopentyl(methyl)amino]cyclopentyl]methanol
CID 79656037
[1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol
CID 79633787
[1-amino-3-[methyl(4-methylpentan-2-yl)amino]cyclopentyl]methanol
CID 79656226
1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid
CID 79641945
[3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640784
[1-amino-3-(dibutylamino)cyclopentyl]methanol
CID 79656278
[1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol
CID 79635025

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol?
The IUPAC name of [1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol (CID 79640620) is [1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol is CC(C)CN(CC(C)C)C1CCCC(N)(CO)C1.
What is the InChIKey of [1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol?
The InChIKey is IEODVSSLZGXNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(2)9-17(10-13(3)4)14-6-5-7-15(16,8-14)11-18/h12-14,18H,5-11,16H2,1-4H3.
What are the key properties of [1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol?
[1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol has a molecular weight of 256.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 79640620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).