2-[(dimethylamino)methyl]pentanedinitrile

C8H13N3 — CID 87113348

IUPAC2-[(dimethylamino)methyl]pentanedinitrile
SMILESCN(C)CC(C#N)CCC#N
InChIInChI=1S/C8H13N3/c1-11(2)7-8(6-10)4-3-5-9/h8H,3-4,7H2,1-2H3
InChIKeyBFTCWPILVWDSOI-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.99
Rot. Bonds4

About 2-[(dimethylamino)methyl]pentanedinitrile

2-[(dimethylamino)methyl]pentanedinitrile (PubChem CID 87113348) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]pentanedinitrile.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]pentanedinitrile
PubChem CID87113348
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-[(dimethylamino)methyl]pentanedinitrile
SMILESCN(C)CC(C#N)CCC#N
InChIInChI=1S/C8H13N3/c1-11(2)7-8(6-10)4-3-5-9/h8H,3-4,7H2,1-2H3
InChIKeyBFTCWPILVWDSOI-UHFFFAOYSA-N
XLogP0.99
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]pentanedinitrile?
The IUPAC name of 2-[(dimethylamino)methyl]pentanedinitrile (CID 87113348) is 2-[(dimethylamino)methyl]pentanedinitrile.
What is the SMILES notation for 2-[(dimethylamino)methyl]pentanedinitrile?
The canonical SMILES for 2-[(dimethylamino)methyl]pentanedinitrile is CN(C)CC(C#N)CCC#N.
What is the InChIKey of 2-[(dimethylamino)methyl]pentanedinitrile?
The InChIKey is BFTCWPILVWDSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11(2)7-8(6-10)4-3-5-9/h8H,3-4,7H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]pentanedinitrile?
2-[(dimethylamino)methyl]pentanedinitrile has a molecular weight of 151.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]pentanedinitrile is sourced from PubChem (CID 87113348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).