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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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).