3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol

C15H32N2O — CID 106811363

IUPAC3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol
SMILESCCN(CCCC(O)(CC)CN)C1CCCCC1
InChIInChI=1S/C15H32N2O/c1-3-15(18,13-16)11-8-12-17(4-2)14-9-6-5-7-10-14/h14,18H,3-13,16H2,1-2H3
InChIKeyVPJZSCQLCRFFHY-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.52
Rot. Bonds8

About 3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol

3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol (PubChem CID 106811363) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol
PubChem CID106811363
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol
SMILESCCN(CCCC(O)(CC)CN)C1CCCCC1
InChIInChI=1S/C15H32N2O/c1-3-15(18,13-16)11-8-12-17(4-2)14-9-6-5-7-10-14/h14,18H,3-13,16H2,1-2H3
InChIKeyVPJZSCQLCRFFHY-UHFFFAOYSA-N
XLogP2.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol
CID 106811212
5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide
CID 65258758
5-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)-2-ethylpentan-1-ol
CID 106809250
1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine
CID 64677718
5-[cyclopentyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
CID 64798547
N,N-diethylcycloundecanamine
CID 163828609
3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol
CID 106811255
3-(aminomethyl)-6-(cyclopentylmethylsulfanyl)hexan-3-ol
CID 106811611
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040
4-[cyclohexyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64798397
2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol
CID 106708020
4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid
CID 65248233

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol (CID 106811363) is 3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol is CCN(CCCC(O)(CC)CN)C1CCCCC1.
What is the InChIKey of 3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol?
The InChIKey is VPJZSCQLCRFFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-3-15(18,13-16)11-8-12-17(4-2)14-9-6-5-7-10-14/h14,18H,3-13,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol?
3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol has a molecular weight of 256.43 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol is sourced from PubChem (CID 106811363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).