3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile

C8H17N3 — CID 22893163

IUPAC3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)CN(C)C
InChIInChI=1S/C8H17N3/c1-7(2)10-8(5-9)6-11(3)4/h7-8,10H,6H2,1-4H3
InChIKeyDWQIAKBIFLTSDP-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.44
Rot. Bonds4

About 3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile

3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile (PubChem CID 22893163) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile
PubChem CID22893163
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)CN(C)C
InChIInChI=1S/C8H17N3/c1-7(2)10-8(5-9)6-11(3)4/h7-8,10H,6H2,1-4H3
InChIKeyDWQIAKBIFLTSDP-UHFFFAOYSA-N
XLogP0.44
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile (CID 22893163) is 3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)CN(C)C.
What is the InChIKey of 3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile?
The InChIKey is DWQIAKBIFLTSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-7(2)10-8(5-9)6-11(3)4/h7-8,10H,6H2,1-4H3.
What are the key properties of 3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile?
3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile has a molecular weight of 155.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 22893163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).