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

C9H18N2 — CID 43151505

IUPAC2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCCC(C)(C#N)NC(C)C
InChIInChI=1S/C9H18N2/c1-5-6-9(4,7-10)11-8(2)3/h8,11H,5-6H2,1-4H3
InChIKeyPXBUWYNCFLTFTE-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.07
Rot. Bonds4

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

2-methyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 43151505) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID43151505
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCCC(C)(C#N)NC(C)C
InChIInChI=1S/C9H18N2/c1-5-6-9(4,7-10)11-8(2)3/h8,11H,5-6H2,1-4H3
InChIKeyPXBUWYNCFLTFTE-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)pentanenitrile (CID 43151505) is 2-methyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)pentanenitrile is CCCC(C)(C#N)NC(C)C.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is PXBUWYNCFLTFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-6-9(4,7-10)11-8(2)3/h8,11H,5-6H2,1-4H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)pentanenitrile?
2-methyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 154.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 43151505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).