3-[(5-amino-4-methylpentyl)amino]pentanenitrile

C11H23N3 — CID 15020039

IUPAC3-[(5-amino-4-methylpentyl)amino]pentanenitrile
SMILESCCC(CC#N)NCCCC(C)CN
InChIInChI=1S/C11H23N3/c1-3-11(6-7-12)14-8-4-5-10(2)9-13/h10-11,14H,3-6,8-9,13H2,1-2H3
InChIKeyGCTMTHLSGMQWBJ-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.64
Rot. Bonds8

About 3-[(5-amino-4-methylpentyl)amino]pentanenitrile

3-[(5-amino-4-methylpentyl)amino]pentanenitrile (PubChem CID 15020039) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-[(5-amino-4-methylpentyl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[(5-amino-4-methylpentyl)amino]pentanenitrile
PubChem CID15020039
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-[(5-amino-4-methylpentyl)amino]pentanenitrile
SMILESCCC(CC#N)NCCCC(C)CN
InChIInChI=1S/C11H23N3/c1-3-11(6-7-12)14-8-4-5-10(2)9-13/h10-11,14H,3-6,8-9,13H2,1-2H3
InChIKeyGCTMTHLSGMQWBJ-UHFFFAOYSA-N
XLogP1.64
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.64
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 3-[(5-amino-4-methylpentyl)amino]pentanenitrile?
The IUPAC name of 3-[(5-amino-4-methylpentyl)amino]pentanenitrile (CID 15020039) is 3-[(5-amino-4-methylpentyl)amino]pentanenitrile.
What is the SMILES notation for 3-[(5-amino-4-methylpentyl)amino]pentanenitrile?
The canonical SMILES for 3-[(5-amino-4-methylpentyl)amino]pentanenitrile is CCC(CC#N)NCCCC(C)CN.
What is the InChIKey of 3-[(5-amino-4-methylpentyl)amino]pentanenitrile?
The InChIKey is GCTMTHLSGMQWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-3-11(6-7-12)14-8-4-5-10(2)9-13/h10-11,14H,3-6,8-9,13H2,1-2H3.
What are the key properties of 3-[(5-amino-4-methylpentyl)amino]pentanenitrile?
3-[(5-amino-4-methylpentyl)amino]pentanenitrile has a molecular weight of 197.33 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-4-methylpentyl)amino]pentanenitrile is sourced from PubChem (CID 15020039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).