3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile

C11H20N2O — CID 62229709

IUPAC3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile
SMILESN#CCCN(CCCCCO)C1CC1
InChIInChI=1S/C11H20N2O/c12-7-4-9-13(11-5-6-11)8-2-1-3-10-14/h11,14H,1-6,8-10H2
InChIKeyDZCIIQJVCLZJBV-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.53
Rot. Bonds8

About 3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile

3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile (PubChem CID 62229709) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile
PubChem CID62229709
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile
SMILESN#CCCN(CCCCCO)C1CC1
InChIInChI=1S/C11H20N2O/c12-7-4-9-13(11-5-6-11)8-2-1-3-10-14/h11,14H,1-6,8-10H2
InChIKeyDZCIIQJVCLZJBV-UHFFFAOYSA-N
XLogP1.53
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile (CID 62229709) is 3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile is N#CCCN(CCCCCO)C1CC1.
What is the InChIKey of 3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile?
The InChIKey is DZCIIQJVCLZJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-7-4-9-13(11-5-6-11)8-2-1-3-10-14/h11,14H,1-6,8-10H2.
What are the key properties of 3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile?
3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile is sourced from PubChem (CID 62229709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).