(3R)-3-(propan-2-ylamino)pentanenitrile

C8H16N2 — CID 93237278

IUPAC(3R)-3-(propan-2-ylamino)pentanenitrile
SMILESCC[C@H](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/t8-/m1/s1
InChIKeyOPVXISIVADUUSD-MRVPVSSYSA-N
MW140.23 g/mol
LogP1.68
Rot. Bonds4

About (3R)-3-(propan-2-ylamino)pentanenitrile

(3R)-3-(propan-2-ylamino)pentanenitrile (PubChem CID 93237278) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (3R)-3-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name(3R)-3-(propan-2-ylamino)pentanenitrile
PubChem CID93237278
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(3R)-3-(propan-2-ylamino)pentanenitrile
SMILESCC[C@H](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/t8-/m1/s1
InChIKeyOPVXISIVADUUSD-MRVPVSSYSA-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 (3R)-3-(propan-2-ylamino)pentanenitrile?
The IUPAC name of (3R)-3-(propan-2-ylamino)pentanenitrile (CID 93237278) is (3R)-3-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for (3R)-3-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for (3R)-3-(propan-2-ylamino)pentanenitrile is CC[C@H](CC#N)NC(C)C.
What is the InChIKey of (3R)-3-(propan-2-ylamino)pentanenitrile?
The InChIKey is OPVXISIVADUUSD-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of (3R)-3-(propan-2-ylamino)pentanenitrile?
(3R)-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 (3R)-3-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 93237278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).