N-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine

C11H18N2 — CID 123848459

IUPACN-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine
SMILESC=C=CCCN/C=C(CC)/N=C/C
InChIInChI=1S/C11H18N2/c1-4-7-8-9-12-10-11(5-2)13-6-3/h6-7,10,12H,1,5,8-9H2,2-3H3/b11-10+,13-6+
InChIKeyWDNIWLWGTQWYRU-OGCXVWDESA-N
MW178.28 g/mol
LogP2.65
Rot. Bonds6

About N-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine

N-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine (PubChem CID 123848459) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine.

Molecular Properties

Compound NameN-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine
PubChem CID123848459
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine
SMILESC=C=CCCN/C=C(CC)/N=C/C
InChIInChI=1S/C11H18N2/c1-4-7-8-9-12-10-11(5-2)13-6-3/h6-7,10,12H,1,5,8-9H2,2-3H3/b11-10+,13-6+
InChIKeyWDNIWLWGTQWYRU-OGCXVWDESA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.65
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine?
The IUPAC name of N-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine (CID 123848459) is N-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine.
What is the SMILES notation for N-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine?
The canonical SMILES for N-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine is C=C=CCCN/C=C(CC)/N=C/C.
What is the InChIKey of N-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine?
The InChIKey is WDNIWLWGTQWYRU-OGCXVWDESA-N. The full InChI is InChI=1S/C11H18N2/c1-4-7-8-9-12-10-11(5-2)13-6-3/h6-7,10,12H,1,5,8-9H2,2-3H3/b11-10+,13-6+.
What are the key properties of N-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine?
N-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(ethylideneamino)but-1-enyl]penta-3,4-dien-1-amine is sourced from PubChem (CID 123848459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).