3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine

C11H18N2 — CID 139378442

IUPAC3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine
SMILES[H]/N=C(\C)CN(C)C(C)=C(C=C)C=C
InChIInChI=1S/C11H18N2/c1-6-11(7-2)10(4)13(5)8-9(3)12/h6-7,12H,1-2,8H2,3-5H3/b12-9+
InChIKeyBYLRYNOTXLRPOK-FMIVXFBMSA-N
MW178.28 g/mol
LogP2.60
Rot. Bonds5

About 3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine

3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine (PubChem CID 139378442) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine
PubChem CID139378442
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine
SMILES[H]/N=C(\C)CN(C)C(C)=C(C=C)C=C
InChIInChI=1S/C11H18N2/c1-6-11(7-2)10(4)13(5)8-9(3)12/h6-7,12H,1-2,8H2,3-5H3/b12-9+
InChIKeyBYLRYNOTXLRPOK-FMIVXFBMSA-N
XLogP2.60
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine?
The IUPAC name of 3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine (CID 139378442) is 3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine.
What is the SMILES notation for 3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine?
The canonical SMILES for 3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine is [H]/N=C(\C)CN(C)C(C)=C(C=C)C=C.
What is the InChIKey of 3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine?
The InChIKey is BYLRYNOTXLRPOK-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-11(7-2)10(4)13(5)8-9(3)12/h6-7,12H,1-2,8H2,3-5H3/b12-9+.
What are the key properties of 3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine?
3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-(2-iminopropyl)-N-methylpenta-2,4-dien-2-amine is sourced from PubChem (CID 139378442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).