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

C14H30N2O — CID 79640962

IUPAC[1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol
SMILESCCC(C)CN(CC)C1CCCC(N)(CO)C1
InChIInChI=1S/C14H30N2O/c1-4-12(3)10-16(5-2)13-7-6-8-14(15,9-13)11-17/h12-13,17H,4-11,15H2,1-3H3
InChIKeyVNXDXIYHSOVDCE-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.99
Rot. Bonds6

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

[1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol (PubChem CID 79640962) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is [1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol
PubChem CID79640962
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name[1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol
SMILESCCC(C)CN(CC)C1CCCC(N)(CO)C1
InChIInChI=1S/C14H30N2O/c1-4-12(3)10-16(5-2)13-7-6-8-14(15,9-13)11-17/h12-13,17H,4-11,15H2,1-3H3
InChIKeyVNXDXIYHSOVDCE-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-3-[ethyl(2-methylbutyl)amino]cyclopentyl]methanol
CID 79645998
[1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol
CID 79640620
[1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol
CID 79635540
[1-amino-3-(diethylamino)cyclopentyl]methanol
CID 79656193
[1-amino-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol
CID 79640938
[1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol
CID 79657029
3-[ethyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625824
[1-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
CID 79657041
[1-amino-3-[methyl(4-methylpentan-2-yl)amino]cyclopentyl]methanol
CID 79656226
[1-amino-3-[cyclopentyl(methyl)amino]cyclopentyl]methanol
CID 79656037
[1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol
CID 79633787
[1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol
CID 79656703

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol?
The IUPAC name of [1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol (CID 79640962) is [1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol is CCC(C)CN(CC)C1CCCC(N)(CO)C1.
What is the InChIKey of [1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol?
The InChIKey is VNXDXIYHSOVDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-12(3)10-16(5-2)13-7-6-8-14(15,9-13)11-17/h12-13,17H,4-11,15H2,1-3H3.
What are the key properties of [1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol?
[1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol has a molecular weight of 242.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[ethyl(2-methylbutyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 79640962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).