2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile

C14H26N2O — CID 106285223

IUPAC2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile
SMILESCCC(CC)C(O)CNC1CCCCC1C#N
InChIInChI=1S/C14H26N2O/c1-3-11(4-2)14(17)10-16-13-8-6-5-7-12(13)9-15/h11-14,16-17H,3-8,10H2,1-2H3
InChIKeyBMLXGMSPHKLVNS-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.46
Rot. Bonds6

About 2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile

2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile (PubChem CID 106285223) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile
PubChem CID106285223
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile
SMILESCCC(CC)C(O)CNC1CCCCC1C#N
InChIInChI=1S/C14H26N2O/c1-3-11(4-2)14(17)10-16-13-8-6-5-7-12(13)9-15/h11-14,16-17H,3-8,10H2,1-2H3
InChIKeyBMLXGMSPHKLVNS-UHFFFAOYSA-N
XLogP2.46
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile
CID 62741297
2-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile
CID 115903557
2-[(3-methyl-2-propan-2-ylbutyl)amino]cycloheptane-1-carbonitrile
CID 102905558
1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol
CID 106284770
2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile
CID 114133401
2-(pentan-3-ylamino)cyclohexane-1-carbonitrile
CID 62742381
2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
ethyl 3-[(2-cyanocyclohexyl)amino]propanoate
CID 62742982
2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide
CID 62742043
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
CID 62742568
2-(2-phenylpropylamino)cycloheptane-1-carbonitrile
CID 104591468

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile (CID 106285223) is 2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile is CCC(CC)C(O)CNC1CCCCC1C#N.
What is the InChIKey of 2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is BMLXGMSPHKLVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-11(4-2)14(17)10-16-13-8-6-5-7-12(13)9-15/h11-14,16-17H,3-8,10H2,1-2H3.
What are the key properties of 2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile?
2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 238.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 106285223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).