2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile

C9H14N2 — CID 57269816

IUPAC2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile
SMILESC=CCC(C#N)(CN)CC=C
InChIInChI=1S/C9H14N2/c1-3-5-9(7-10,8-11)6-4-2/h3-4H,1-2,5-7,10H2
InChIKeyQCUBHWCRPDMRJZ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.61
Rot. Bonds5

About 2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile

2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile (PubChem CID 57269816) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile.

Molecular Properties

Compound Name2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile
PubChem CID57269816
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile
SMILESC=CCC(C#N)(CN)CC=C
InChIInChI=1S/C9H14N2/c1-3-5-9(7-10,8-11)6-4-2/h3-4H,1-2,5-7,10H2
InChIKeyQCUBHWCRPDMRJZ-UHFFFAOYSA-N
XLogP1.61
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.61
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-(aminomethyl)-2-prop-2-enylpent-4-enenitrile?
The IUPAC name of 2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile (CID 57269816) is 2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile.
What is the SMILES notation for 2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile?
The canonical SMILES for 2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile is C=CCC(C#N)(CN)CC=C.
What is the InChIKey of 2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile?
The InChIKey is QCUBHWCRPDMRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-5-9(7-10,8-11)6-4-2/h3-4H,1-2,5-7,10H2.
What are the key properties of 2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile?
2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile has a molecular weight of 150.22 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile is sourced from PubChem (CID 57269816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).