1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile

C14H24N2O — CID 103983054

IUPAC1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile
SMILESN#CC1(C2(O)CCCNCC2)CCCCCC1
InChIInChI=1S/C14H24N2O/c15-12-13(6-3-1-2-4-7-13)14(17)8-5-10-16-11-9-14/h16-17H,1-11H2
InChIKeyCEOFRVGNCVNWEQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.36
Rot. Bonds1

About 1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile

1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile (PubChem CID 103983054) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile
PubChem CID103983054
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile
SMILESN#CC1(C2(O)CCCNCC2)CCCCCC1
InChIInChI=1S/C14H24N2O/c15-12-13(6-3-1-2-4-7-13)14(17)8-5-10-16-11-9-14/h16-17H,1-11H2
InChIKeyCEOFRVGNCVNWEQ-UHFFFAOYSA-N
XLogP2.36
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxypiperidin-4-yl)cyclooctane-1-carbonitrile
CID 80603343
1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile
CID 79129448
1-(1-hydroxy-2,2-dimethylcyclohexyl)cycloheptane-1-carbonitrile
CID 79852706
1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile
CID 80603437
1-(4-tert-butyl-1-hydroxycycloheptyl)cycloheptane-1-carbonitrile
CID 79124063
1-(1-hydroxy-2,2-dimethylcyclohexyl)cyclobutane-1-carbonitrile
CID 79852266
4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
CID 79118407
3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile
CID 79118405
4-[1-(aminomethyl)cyclopentyl]azepan-4-ol
CID 103983091
1-(3-hydroxy-1,1-dioxothiolan-3-yl)cycloheptane-1-carbonitrile
CID 79131134
3-(1-hydroxycycloheptyl)-1,1-dioxothiolane-3-carbonitrile
CID 115338136
1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 79130574

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile?
The IUPAC name of 1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile (CID 103983054) is 1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile?
The canonical SMILES for 1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile is N#CC1(C2(O)CCCNCC2)CCCCCC1.
What is the InChIKey of 1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile?
The InChIKey is CEOFRVGNCVNWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c15-12-13(6-3-1-2-4-7-13)14(17)8-5-10-16-11-9-14/h16-17H,1-11H2.
What are the key properties of 1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile?
1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile is sourced from PubChem (CID 103983054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).