5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile

C13H24N2O — CID 65123008

IUPAC5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
SMILESN#CCCCCNCC1(O)CCCCCC1
InChIInChI=1S/C13H24N2O/c14-10-6-3-7-11-15-12-13(16)8-4-1-2-5-9-13/h15-16H,1-9,11-12H2
InChIKeyHCRLJDCLJUOGJY-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.36
Rot. Bonds6

About 5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile

5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile (PubChem CID 65123008) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile.

Molecular Properties

Compound Name5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
PubChem CID65123008
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
SMILESN#CCCCCNCC1(O)CCCCCC1
InChIInChI=1S/C13H24N2O/c14-10-6-3-7-11-15-12-13(16)8-4-1-2-5-9-13/h15-16H,1-9,11-12H2
InChIKeyHCRLJDCLJUOGJY-UHFFFAOYSA-N
XLogP2.36
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile
CID 81130543
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
1-[(5-hydroxypentylamino)methyl]cyclopentan-1-ol
CID 65111515
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol
CID 115664087
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
CID 115359670
1-[(hept-6-enylamino)methyl]cycloheptan-1-ol
CID 107006904
4-[(1-hydroxycyclohexyl)methylamino]butanoic acid
CID 65108900
4-[(1-hydroxycycloheptyl)methylamino]butanamide
CID 60908501
1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol
CID 65211357

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile?
The IUPAC name of 5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile (CID 65123008) is 5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile.
What is the SMILES notation for 5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile?
The canonical SMILES for 5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile is N#CCCCCNCC1(O)CCCCCC1.
What is the InChIKey of 5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile?
The InChIKey is HCRLJDCLJUOGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-10-6-3-7-11-15-12-13(16)8-4-1-2-5-9-13/h15-16H,1-9,11-12H2.
What are the key properties of 5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile?
5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile has a molecular weight of 224.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile is sourced from PubChem (CID 65123008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).