(3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine

C11H18N2 — CID 139522229

IUPAC(3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine
SMILESC=C/C(C)=N/C=C(\C)C(=C)N(C)C
InChIInChI=1S/C11H18N2/c1-7-10(3)12-8-9(2)11(4)13(5)6/h7-8H,1,4H2,2-3,5-6H3/b9-8+,12-10+
InChIKeyIHKDZBJXODXDJG-CDKJVOIVSA-N
MW178.28 g/mol
LogP2.61
Rot. Bonds4

About (3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine

(3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine (PubChem CID 139522229) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine
PubChem CID139522229
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine
SMILESC=C/C(C)=N/C=C(\C)C(=C)N(C)C
InChIInChI=1S/C11H18N2/c1-7-10(3)12-8-9(2)11(4)13(5)6/h7-8H,1,4H2,2-3,5-6H3/b9-8+,12-10+
InChIKeyIHKDZBJXODXDJG-CDKJVOIVSA-N
XLogP2.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
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 (3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine?
The IUPAC name of (3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine (CID 139522229) is (3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine?
The canonical SMILES for (3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine is C=C/C(C)=N/C=C(\C)C(=C)N(C)C.
What is the InChIKey of (3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine?
The InChIKey is IHKDZBJXODXDJG-CDKJVOIVSA-N. The full InChI is InChI=1S/C11H18N2/c1-7-10(3)12-8-9(2)11(4)13(5)6/h7-8H,1,4H2,2-3,5-6H3/b9-8+,12-10+.
What are the key properties of (3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine?
(3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine is sourced from PubChem (CID 139522229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).