3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile

C12H22N2O — CID 103738654

IUPAC3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile
SMILESN#CCCN(CCCCCCO)C1CC1
InChIInChI=1S/C12H22N2O/c13-8-5-10-14(12-6-7-12)9-3-1-2-4-11-15/h12,15H,1-7,9-11H2
InChIKeyUUVSALBBZNJDLQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.92
Rot. Bonds9

About 3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile

3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile (PubChem CID 103738654) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile
PubChem CID103738654
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile
SMILESN#CCCN(CCCCCCO)C1CC1
InChIInChI=1S/C12H22N2O/c13-8-5-10-14(12-6-7-12)9-3-1-2-4-11-15/h12,15H,1-7,9-11H2
InChIKeyUUVSALBBZNJDLQ-UHFFFAOYSA-N
XLogP1.92
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile
CID 62229709
3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile
CID 81105424
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide
CID 102848562
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide
CID 55149424
3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile
CID 115666797
6-[2-aminoethyl(cyclobutyl)amino]hexan-1-ol
CID 107707010
N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
CID 54996850
6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol
CID 103737780
3-[cyclopropyl(2-oxoethyl)amino]propanenitrile
CID 62037220
2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylsulfanyl]acetonitrile
CID 111510752

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile (CID 103738654) is 3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile is N#CCCN(CCCCCCO)C1CC1.
What is the InChIKey of 3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile?
The InChIKey is UUVSALBBZNJDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-8-5-10-14(12-6-7-12)9-3-1-2-4-11-15/h12,15H,1-7,9-11H2.
What are the key properties of 3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile?
3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile has a molecular weight of 210.32 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile is sourced from PubChem (CID 103738654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).