4-methyl-2-(propan-2-ylamino)pentanenitrile

C9H18N2 — CID 15852216

IUPAC4-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCC(C)CC(C#N)NC(C)C
InChIInChI=1S/C9H18N2/c1-7(2)5-9(6-10)11-8(3)4/h7-9,11H,5H2,1-4H3
InChIKeyDMNHCBOSRGEZHZ-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.92
Rot. Bonds4

About 4-methyl-2-(propan-2-ylamino)pentanenitrile

4-methyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 15852216) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-methyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name4-methyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID15852216
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCC(C)CC(C#N)NC(C)C
InChIInChI=1S/C9H18N2/c1-7(2)5-9(6-10)11-8(3)4/h7-9,11H,5H2,1-4H3
InChIKeyDMNHCBOSRGEZHZ-UHFFFAOYSA-N
XLogP1.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 4-methyl-2-(propan-2-ylamino)pentanenitrile (CID 15852216) is 4-methyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 4-methyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 4-methyl-2-(propan-2-ylamino)pentanenitrile is CC(C)CC(C#N)NC(C)C.
What is the InChIKey of 4-methyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is DMNHCBOSRGEZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)5-9(6-10)11-8(3)4/h7-9,11H,5H2,1-4H3.
What are the key properties of 4-methyl-2-(propan-2-ylamino)pentanenitrile?
4-methyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 154.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 15852216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).