2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile

C10H18N2 — CID 62354448

IUPAC2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile
SMILESC=CCNC(C)(C#N)C(C)CC
InChIInChI=1S/C10H18N2/c1-5-7-12-10(4,8-11)9(3)6-2/h5,9,12H,1,6-7H2,2-4H3
InChIKeyMRNBDRPPUYXOMZ-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.09
Rot. Bonds5

About 2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile

2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile (PubChem CID 62354448) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile.

Molecular Properties

Compound Name2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile
PubChem CID62354448
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile
SMILESC=CCNC(C)(C#N)C(C)CC
InChIInChI=1S/C10H18N2/c1-5-7-12-10(4,8-11)9(3)6-2/h5,9,12H,1,6-7H2,2-4H3
InChIKeyMRNBDRPPUYXOMZ-UHFFFAOYSA-N
XLogP2.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.09
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 2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile?
The IUPAC name of 2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile (CID 62354448) is 2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile.
What is the SMILES notation for 2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile?
The canonical SMILES for 2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile is C=CCNC(C)(C#N)C(C)CC.
What is the InChIKey of 2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile?
The InChIKey is MRNBDRPPUYXOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-7-12-10(4,8-11)9(3)6-2/h5,9,12H,1,6-7H2,2-4H3.
What are the key properties of 2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile?
2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile is sourced from PubChem (CID 62354448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).