4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile

C11H23N3 — CID 64727261

IUPAC4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCC(C)NC(C)(C#N)CC(C)N(C)C
InChIInChI=1S/C11H23N3/c1-9(2)13-11(4,8-12)7-10(3)14(5)6/h9-10,13H,7H2,1-6H3
InChIKeyMZNOHTGKPLSBTA-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.61
Rot. Bonds5

About 4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile

4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 64727261) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID64727261
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCC(C)NC(C)(C#N)CC(C)N(C)C
InChIInChI=1S/C11H23N3/c1-9(2)13-11(4,8-12)7-10(3)14(5)6/h9-10,13H,7H2,1-6H3
InChIKeyMZNOHTGKPLSBTA-UHFFFAOYSA-N
XLogP1.61
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile (CID 64727261) is 4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile is CC(C)NC(C)(C#N)CC(C)N(C)C.
What is the InChIKey of 4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is MZNOHTGKPLSBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-9(2)13-11(4,8-12)7-10(3)14(5)6/h9-10,13H,7H2,1-6H3.
What are the key properties of 4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 197.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 64727261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).