2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile

C14H28N4 — CID 55226397

IUPAC2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile
SMILESCN(C)CCN(C)CCCC(C)(C#N)NC1CC1
InChIInChI=1S/C14H28N4/c1-14(12-15,16-13-6-7-13)8-5-9-18(4)11-10-17(2)3/h13,16H,5-11H2,1-4H3
InChIKeyNXQMOBOCRJPNPA-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.29
Rot. Bonds9

About 2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile

2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile (PubChem CID 55226397) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile
PubChem CID55226397
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile
SMILESCN(C)CCN(C)CCCC(C)(C#N)NC1CC1
InChIInChI=1S/C14H28N4/c1-14(12-15,16-13-6-7-13)8-5-9-18(4)11-10-17(2)3/h13,16H,5-11H2,1-4H3
InChIKeyNXQMOBOCRJPNPA-UHFFFAOYSA-N
XLogP1.29
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile 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

Piperazine-2,5,5-tetracarbonitrile, 3,6-dipropyl-
CID 398330
3-[8-(2-Cyanoethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile
CID 91420939
[trans-n1,n8-Bis(2-cyanoethyl)2,4,4,9,11,11-hexamethyl-1,5,8,12-tetraazacyclotetradecane]
CID 101698382
3-[(3S,5S,10R,12R)-8-(2-cyanoethyl)-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile
CID 139064861
2-(Cyclopropylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanenitrile
CID 61907048
2-(Cyclopropylamino)-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 61907900
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(methylamino)pentanenitrile
CID 61907911
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 61908116
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 61908117
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 61908118
2-(Cyclopropylamino)-2-methyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 61909399
2-(Cyclopropylamino)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 61909403

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile (CID 55226397) is 2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile is CN(C)CCN(C)CCCC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile?
The InChIKey is NXQMOBOCRJPNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-14(12-15,16-13-6-7-13)8-5-9-18(4)11-10-17(2)3/h13,16H,5-11H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile?
2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile has a molecular weight of 252.41 g/mol, XLogP of 1.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-[2-(dimethylamino)ethyl-methylamino]-2-methylpentanenitrile is sourced from PubChem (CID 55226397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).