2-but-3-enylimino-N,3-dimethylpentan-1-amine

C11H22N2 — CID 139514132

IUPAC2-but-3-enylimino-N,3-dimethylpentan-1-amine
SMILESC=CCC/N=C(\CNC)C(C)CC
InChIInChI=1S/C11H22N2/c1-5-7-8-13-11(9-12-4)10(3)6-2/h5,10,12H,1,6-9H2,2-4H3/b13-11+
InChIKeyFFKKDXGURBNZRE-ACCUITESSA-N
MW182.31 g/mol
LogP2.27
Rot. Bonds7

About 2-but-3-enylimino-N,3-dimethylpentan-1-amine

2-but-3-enylimino-N,3-dimethylpentan-1-amine (PubChem CID 139514132) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-but-3-enylimino-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-but-3-enylimino-N,3-dimethylpentan-1-amine
PubChem CID139514132
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-but-3-enylimino-N,3-dimethylpentan-1-amine
SMILESC=CCC/N=C(\CNC)C(C)CC
InChIInChI=1S/C11H22N2/c1-5-7-8-13-11(9-12-4)10(3)6-2/h5,10,12H,1,6-9H2,2-4H3/b13-11+
InChIKeyFFKKDXGURBNZRE-ACCUITESSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enylimino-N,3-dimethylpentan-1-amine?
The IUPAC name of 2-but-3-enylimino-N,3-dimethylpentan-1-amine (CID 139514132) is 2-but-3-enylimino-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 2-but-3-enylimino-N,3-dimethylpentan-1-amine?
The canonical SMILES for 2-but-3-enylimino-N,3-dimethylpentan-1-amine is C=CCC/N=C(\CNC)C(C)CC.
What is the InChIKey of 2-but-3-enylimino-N,3-dimethylpentan-1-amine?
The InChIKey is FFKKDXGURBNZRE-ACCUITESSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-7-8-13-11(9-12-4)10(3)6-2/h5,10,12H,1,6-9H2,2-4H3/b13-11+.
What are the key properties of 2-but-3-enylimino-N,3-dimethylpentan-1-amine?
2-but-3-enylimino-N,3-dimethylpentan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enylimino-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 139514132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).