4,4-dimethyl-5-(methylamino)pentanenitrile

C8H16N2 — CID 20774348

IUPAC4,4-dimethyl-5-(methylamino)pentanenitrile
SMILESCNCC(C)(C)CCC#N
InChIInChI=1S/C8H16N2/c1-8(2,7-10-3)5-4-6-9/h10H,4-5,7H2,1-3H3
InChIKeyANVOCUINLOBNHP-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.54
Rot. Bonds4

About 4,4-dimethyl-5-(methylamino)pentanenitrile

4,4-dimethyl-5-(methylamino)pentanenitrile (PubChem CID 20774348) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4,4-dimethyl-5-(methylamino)pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-(methylamino)pentanenitrile
PubChem CID20774348
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4,4-dimethyl-5-(methylamino)pentanenitrile
SMILESCNCC(C)(C)CCC#N
InChIInChI=1S/C8H16N2/c1-8(2,7-10-3)5-4-6-9/h10H,4-5,7H2,1-3H3
InChIKeyANVOCUINLOBNHP-UHFFFAOYSA-N
XLogP1.54
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(methylamino)pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-(methylamino)pentanenitrile (CID 20774348) is 4,4-dimethyl-5-(methylamino)pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-(methylamino)pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-(methylamino)pentanenitrile is CNCC(C)(C)CCC#N.
What is the InChIKey of 4,4-dimethyl-5-(methylamino)pentanenitrile?
The InChIKey is ANVOCUINLOBNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,7-10-3)5-4-6-9/h10H,4-5,7H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-(methylamino)pentanenitrile?
4,4-dimethyl-5-(methylamino)pentanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(methylamino)pentanenitrile is sourced from PubChem (CID 20774348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).