5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile

C14H29N3 — CID 114133524

IUPAC5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile
SMILESCCCN(CC)CCNCCCC(C)(C)C#N
InChIInChI=1S/C14H29N3/c1-5-11-17(6-2)12-10-16-9-7-8-14(3,4)13-15/h16H,5-12H2,1-4H3
InChIKeyMIVXLYXMLCSLHU-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.64
Rot. Bonds10

About 5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile

5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile (PubChem CID 114133524) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile
PubChem CID114133524
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile
SMILESCCCN(CC)CCNCCCC(C)(C)C#N
InChIInChI=1S/C14H29N3/c1-5-11-17(6-2)12-10-16-9-7-8-14(3,4)13-15/h16H,5-12H2,1-4H3
InChIKeyMIVXLYXMLCSLHU-UHFFFAOYSA-N
XLogP2.64
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile
CID 65248790
N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 62575989
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
CID 115672467
5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile
CID 113247973
3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide
CID 113411328
4-(diethylamino)-2,2-dimethylbutanenitrile
CID 65251314
4-(hexylamino)-2,2-dimethylbutanenitrile
CID 65253637
5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile
CID 65256696
N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62573813
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile
CID 102993281

Frequently Asked Questions

What is the IUPAC name of 5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile (CID 114133524) is 5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile is CCCN(CC)CCNCCCC(C)(C)C#N.
What is the InChIKey of 5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile?
The InChIKey is MIVXLYXMLCSLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-11-17(6-2)12-10-16-9-7-8-14(3,4)13-15/h16H,5-12H2,1-4H3.
What are the key properties of 5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile?
5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile has a molecular weight of 239.41 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 114133524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).