5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile

C17H36N4 — CID 106804047

IUPAC5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCN(CCCN(C)C)CCCC(C#N)(CC)NC(C)C
InChIInChI=1S/C17H36N4/c1-7-17(15-18,19-16(3)4)11-9-13-21(8-2)14-10-12-20(5)6/h16,19H,7-14H2,1-6H3
InChIKeyBUVHACXNEPZLHP-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.71
Rot. Bonds12

About 5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile

5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 106804047) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID106804047
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCN(CCCN(C)C)CCCC(C#N)(CC)NC(C)C
InChIInChI=1S/C17H36N4/c1-7-17(15-18,19-16(3)4)11-9-13-21(8-2)14-10-12-20(5)6/h16,19H,7-14H2,1-6H3
InChIKeyBUVHACXNEPZLHP-UHFFFAOYSA-N
XLogP2.71
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile 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

2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802964
2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803055
2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802974
5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803411
2-ethyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803901
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040
5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803389
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803222
5-[cyclopropyl(propyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803009
4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile
CID 102993281
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803166
2-ethyl-5-(2-hydroxyethylsulfanyl)-2-(propan-2-ylamino)pentanenitrile
CID 106805056

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile (CID 106804047) is 5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile is CCN(CCCN(C)C)CCCC(C#N)(CC)NC(C)C.
What is the InChIKey of 5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is BUVHACXNEPZLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-7-17(15-18,19-16(3)4)11-9-13-21(8-2)14-10-12-20(5)6/h16,19H,7-14H2,1-6H3.
What are the key properties of 5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 296.50 g/mol, XLogP of 2.71, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 106804047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).