1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile

C10H18N2O — CID 28702725

IUPAC1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NCCCO)CCCCC1
InChIInChI=1S/C10H18N2O/c11-9-10(12-7-4-8-13)5-2-1-3-6-10/h12-13H,1-8H2
InChIKeyZRHYQWYAKSKCCR-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.18
Rot. Bonds4

About 1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile

1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile (PubChem CID 28702725) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile
PubChem CID28702725
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NCCCO)CCCCC1
InChIInChI=1S/C10H18N2O/c11-9-10(12-7-4-8-13)5-2-1-3-6-10/h12-13H,1-8H2
InChIKeyZRHYQWYAKSKCCR-UHFFFAOYSA-N
XLogP1.18
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.18
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

1-ethyl-4-(3-hydroxypropylamino)azepane-4-carbonitrile
CID 65076348
8-(3-hydroxypropylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 62588215
1-(3-hydroxypropylamino)-3-methylcyclohexane-1-carbonitrile
CID 62586972
3-(3-hydroxypropylamino)-1,1-dioxothiolane-3-carbonitrile
CID 63166471
1-(3-hydroxypropylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile
CID 107429248
2-[(1-cyanocyclohexyl)amino]acetic acid
CID 175519505
4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile
CID 164659287
3-ethoxy-1-(3-hydroxypropylamino)cyclobutane-1-carbonitrile
CID 106822514
N,N'-bis(1-ethynylcyclohexyl)propane-1,3-diamine
CID 22251709
1-(3-hydroxypropylamino)-2,3-dimethylcyclohexane-1-carbonitrile
CID 64755156
1-(propylamino)cyclopropane-1-carbonitrile
CID 103439401
N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 43392467

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile (CID 28702725) is 1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile is N#CC1(NCCCO)CCCCC1.
What is the InChIKey of 1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile?
The InChIKey is ZRHYQWYAKSKCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-9-10(12-7-4-8-13)5-2-1-3-6-10/h12-13H,1-8H2.
What are the key properties of 1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile?
1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 28702725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).