2-methyl-2-(prop-2-enylamino)pentanenitrile

C9H16N2 — CID 62354657

IUPAC2-methyl-2-(prop-2-enylamino)pentanenitrile
SMILESC=CCNC(C)(C#N)CCC
InChIInChI=1S/C9H16N2/c1-4-6-9(3,8-10)11-7-5-2/h5,11H,2,4,6-7H2,1,3H3
InChIKeyDOZYHNGQIMJKFG-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.84
Rot. Bonds5

About 2-methyl-2-(prop-2-enylamino)pentanenitrile

2-methyl-2-(prop-2-enylamino)pentanenitrile (PubChem CID 62354657) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-2-(prop-2-enylamino)pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(prop-2-enylamino)pentanenitrile
PubChem CID62354657
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methyl-2-(prop-2-enylamino)pentanenitrile
SMILESC=CCNC(C)(C#N)CCC
InChIInChI=1S/C9H16N2/c1-4-6-9(3,8-10)11-7-5-2/h5,11H,2,4,6-7H2,1,3H3
InChIKeyDOZYHNGQIMJKFG-UHFFFAOYSA-N
XLogP1.84
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(prop-2-enylamino)pentanenitrile?
The IUPAC name of 2-methyl-2-(prop-2-enylamino)pentanenitrile (CID 62354657) is 2-methyl-2-(prop-2-enylamino)pentanenitrile.
What is the SMILES notation for 2-methyl-2-(prop-2-enylamino)pentanenitrile?
The canonical SMILES for 2-methyl-2-(prop-2-enylamino)pentanenitrile is C=CCNC(C)(C#N)CCC.
What is the InChIKey of 2-methyl-2-(prop-2-enylamino)pentanenitrile?
The InChIKey is DOZYHNGQIMJKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-6-9(3,8-10)11-7-5-2/h5,11H,2,4,6-7H2,1,3H3.
What are the key properties of 2-methyl-2-(prop-2-enylamino)pentanenitrile?
2-methyl-2-(prop-2-enylamino)pentanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(prop-2-enylamino)pentanenitrile is sourced from PubChem (CID 62354657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).