5-(4-cyanobutylamino)pentanenitrile

C10H17N3 — CID 54074378

IUPAC5-(4-cyanobutylamino)pentanenitrile
SMILESN#CCCCCNCCCCC#N
InChIInChI=1S/C10H17N3/c11-7-3-1-5-9-13-10-6-2-4-8-12/h13H,1-6,9-10H2
InChIKeyMIQUZXMFAULSMI-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.96
Rot. Bonds8

About 5-(4-cyanobutylamino)pentanenitrile

5-(4-cyanobutylamino)pentanenitrile (PubChem CID 54074378) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-(4-cyanobutylamino)pentanenitrile.

Molecular Properties

Compound Name5-(4-cyanobutylamino)pentanenitrile
PubChem CID54074378
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-(4-cyanobutylamino)pentanenitrile
SMILESN#CCCCCNCCCCC#N
InChIInChI=1S/C10H17N3/c11-7-3-1-5-9-13-10-6-2-4-8-12/h13H,1-6,9-10H2
InChIKeyMIQUZXMFAULSMI-UHFFFAOYSA-N
XLogP1.96
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.96
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 5-(4-cyanobutylamino)pentanenitrile?
The IUPAC name of 5-(4-cyanobutylamino)pentanenitrile (CID 54074378) is 5-(4-cyanobutylamino)pentanenitrile.
What is the SMILES notation for 5-(4-cyanobutylamino)pentanenitrile?
The canonical SMILES for 5-(4-cyanobutylamino)pentanenitrile is N#CCCCCNCCCCC#N.
What is the InChIKey of 5-(4-cyanobutylamino)pentanenitrile?
The InChIKey is MIQUZXMFAULSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-7-3-1-5-9-13-10-6-2-4-8-12/h13H,1-6,9-10H2.
What are the key properties of 5-(4-cyanobutylamino)pentanenitrile?
5-(4-cyanobutylamino)pentanenitrile has a molecular weight of 179.27 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanobutylamino)pentanenitrile is sourced from PubChem (CID 54074378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).