5-(dimethylamino)-4-methylpentanenitrile

C8H16N2 — CID 18629771

IUPAC5-(dimethylamino)-4-methylpentanenitrile
SMILESCC(CCC#N)CN(C)C
InChIInChI=1S/C8H16N2/c1-8(5-4-6-9)7-10(2)3/h8H,4-5,7H2,1-3H3
InChIKeySTOYPRKDWUVLQU-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.49
Rot. Bonds4

About 5-(dimethylamino)-4-methylpentanenitrile

5-(dimethylamino)-4-methylpentanenitrile (PubChem CID 18629771) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-(dimethylamino)-4-methylpentanenitrile.

Molecular Properties

Compound Name5-(dimethylamino)-4-methylpentanenitrile
PubChem CID18629771
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-(dimethylamino)-4-methylpentanenitrile
SMILESCC(CCC#N)CN(C)C
InChIInChI=1S/C8H16N2/c1-8(5-4-6-9)7-10(2)3/h8H,4-5,7H2,1-3H3
InChIKeySTOYPRKDWUVLQU-UHFFFAOYSA-N
XLogP1.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-4-methylpentanenitrile?
The IUPAC name of 5-(dimethylamino)-4-methylpentanenitrile (CID 18629771) is 5-(dimethylamino)-4-methylpentanenitrile.
What is the SMILES notation for 5-(dimethylamino)-4-methylpentanenitrile?
The canonical SMILES for 5-(dimethylamino)-4-methylpentanenitrile is CC(CCC#N)CN(C)C.
What is the InChIKey of 5-(dimethylamino)-4-methylpentanenitrile?
The InChIKey is STOYPRKDWUVLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(5-4-6-9)7-10(2)3/h8H,4-5,7H2,1-3H3.
What are the key properties of 5-(dimethylamino)-4-methylpentanenitrile?
5-(dimethylamino)-4-methylpentanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-4-methylpentanenitrile is sourced from PubChem (CID 18629771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).