2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile

C14H26N2O — CID 79415753

IUPAC2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile
SMILESCCCC(C#N)C1(O)CCCN(CCC)CC1
InChIInChI=1S/C14H26N2O/c1-3-6-13(12-15)14(17)7-5-10-16(9-4-2)11-8-14/h13,17H,3-11H2,1-2H3
InChIKeyZHVNHTIOLNWWPA-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.55
Rot. Bonds5

About 2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile

2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile (PubChem CID 79415753) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile.

Molecular Properties

Compound Name2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile
PubChem CID79415753
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile
SMILESCCCC(C#N)C1(O)CCCN(CCC)CC1
InChIInChI=1S/C14H26N2O/c1-3-6-13(12-15)14(17)7-5-10-16(9-4-2)11-8-14/h13,17H,3-11H2,1-2H3
InChIKeyZHVNHTIOLNWWPA-UHFFFAOYSA-N
XLogP2.55
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile
CID 79412426
2-(4-hydroxy-1-propylazepan-4-yl)-3-methylbutanoic acid
CID 65076967
4-hydroxy-1-propylpiperidine-4-carbonitrile
CID 43436625
ethyl 2-fluoro-2-(4-hydroxy-1-propylazepan-4-yl)acetate
CID 79366738
4-(dimethylamino)-1-propylazepane-4-carbonitrile
CID 65077380
4-but-3-ynyl-1-propylazepan-4-ol
CID 65077810
2-(1-hydroxycycloheptyl)butanenitrile
CID 79129702
2-(4-hydroxy-1-propylpiperidin-4-yl)acetonitrile
CID 79116476
2-(4-hydroxy-2-methyloxan-4-yl)pentanenitrile
CID 79413009
ethyl 2-(1-ethyl-4-hydroxyazepan-4-yl)pentanoate
CID 83042795
4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile
CID 79123843
3-(4-hydroxy-1-propylazepan-4-yl)oxane-3-carbonitrile
CID 103715854

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile?
The IUPAC name of 2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile (CID 79415753) is 2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile.
What is the SMILES notation for 2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile?
The canonical SMILES for 2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile is CCCC(C#N)C1(O)CCCN(CCC)CC1.
What is the InChIKey of 2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile?
The InChIKey is ZHVNHTIOLNWWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-6-13(12-15)14(17)7-5-10-16(9-4-2)11-8-14/h13,17H,3-11H2,1-2H3.
What are the key properties of 2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile?
2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile is sourced from PubChem (CID 79415753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).