5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile

C10H18N2O — CID 63298580

IUPAC5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile
SMILESN#CCCCCNCC(O)C1CC1
InChIInChI=1S/C10H18N2O/c11-6-2-1-3-7-12-8-10(13)9-4-5-9/h9-10,12-13H,1-5,7-8H2
InChIKeyUEYZMRZHZKADRQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.04
Rot. Bonds7

About 5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile

5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile (PubChem CID 63298580) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile
PubChem CID63298580
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile
SMILESN#CCCCCNCC(O)C1CC1
InChIInChI=1S/C10H18N2O/c11-6-2-1-3-7-12-8-10(13)9-4-5-9/h9-10,12-13H,1-5,7-8H2
InChIKeyUEYZMRZHZKADRQ-UHFFFAOYSA-N
XLogP1.04
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.04
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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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile?
The IUPAC name of 5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile (CID 63298580) is 5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile.
What is the SMILES notation for 5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile?
The canonical SMILES for 5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile is N#CCCCCNCC(O)C1CC1.
What is the InChIKey of 5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile?
The InChIKey is UEYZMRZHZKADRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-6-2-1-3-7-12-8-10(13)9-4-5-9/h9-10,12-13H,1-5,7-8H2.
What are the key properties of 5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile?
5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropyl-2-hydroxyethyl)amino]pentanenitrile is sourced from PubChem (CID 63298580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).