4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile

C17H36N4 — CID 64727286

IUPAC4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCC(C)CN(CCN(C)C)C(C)CC(C)(C#N)NC(C)C
InChIInChI=1S/C17H36N4/c1-14(2)12-21(10-9-20(7)8)16(5)11-17(6,13-18)19-15(3)4/h14-16,19H,9-12H2,1-8H3
InChIKeyPFMPVTGFLBXUKA-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.56
Rot. Bonds10

About 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile

4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 64727286) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID64727286
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCC(C)CN(CCN(C)C)C(C)CC(C)(C#N)NC(C)C
InChIInChI=1S/C17H36N4/c1-14(2)12-21(10-9-20(7)8)16(5)11-17(6,13-18)19-15(3)4/h14-16,19H,9-12H2,1-8H3
InChIKeyPFMPVTGFLBXUKA-UHFFFAOYSA-N
XLogP2.56
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetrazacyclotetradecane
CID 143337
Meso-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane
CID 7154580
5,5,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane
CID 19065732
2,5,5,7,9,12,12,14-Octamethyl-1,4,8,11-tetrazacyclotetradecane
CID 6396265
trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
CID 7154578
1,2,5,5,7,8,9,12,12,14-Decamethyl-1,4,8,11-tetrazacyclotetradecane
CID 91083918
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
rel-(7R,14R)-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane
CID 7154582
2-[1,2-Bis(cyanomethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetonitrile
CID 19930381
2-[[1-(3,4-Diaminobutan-2-yl)piperazin-2-yl]methyl]propanedinitrile
CID 20072221

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile (CID 64727286) is 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile is CC(C)CN(CCN(C)C)C(C)CC(C)(C#N)NC(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is PFMPVTGFLBXUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-14(2)12-21(10-9-20(7)8)16(5)11-17(6,13-18)19-15(3)4/h14-16,19H,9-12H2,1-8H3.
What are the key properties of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile?
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 296.50 g/mol, XLogP of 2.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 64727286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).