3-(propan-2-ylamino)pentanenitrile

C8H16N2 — CID 43367917

IUPAC3-(propan-2-ylamino)pentanenitrile
SMILESCCC(CC#N)NC(C)C
InChIInChI=1S/C8H16N2/c1-4-8(5-6-9)10-7(2)3/h7-8,10H,4-5H2,1-3H3
InChIKeyOPVXISIVADUUSD-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.68
Rot. Bonds4

About 3-(propan-2-ylamino)pentanenitrile

3-(propan-2-ylamino)pentanenitrile (PubChem CID 43367917) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name3-(propan-2-ylamino)pentanenitrile
PubChem CID43367917
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-(propan-2-ylamino)pentanenitrile
SMILESCCC(CC#N)NC(C)C
InChIInChI=1S/C8H16N2/c1-4-8(5-6-9)10-7(2)3/h7-8,10H,4-5H2,1-3H3
InChIKeyOPVXISIVADUUSD-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 3-(propan-2-ylamino)pentanenitrile (CID 43367917) is 3-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 3-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 3-(propan-2-ylamino)pentanenitrile is CCC(CC#N)NC(C)C.
What is the InChIKey of 3-(propan-2-ylamino)pentanenitrile?
The InChIKey is OPVXISIVADUUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8(5-6-9)10-7(2)3/h7-8,10H,4-5H2,1-3H3.
What are the key properties of 3-(propan-2-ylamino)pentanenitrile?
3-(propan-2-ylamino)pentanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 43367917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).