(1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine

C8H14N2 — CID 126700436

IUPAC(1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine
SMILESC=CC(/C=C\N=C\C)NC
InChIInChI=1S/C8H14N2/c1-4-8(9-3)6-7-10-5-2/h4-9H,1H2,2-3H3/b7-6-,10-5+
InChIKeyHLUDXLLUKPGHBB-JQEGGOPCSA-N
MW138.21 g/mol
LogP1.36
Rot. Bonds4

About (1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine

(1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine (PubChem CID 126700436) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine.

Molecular Properties

Compound Name(1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine
PubChem CID126700436
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine
SMILESC=CC(/C=C\N=C\C)NC
InChIInChI=1S/C8H14N2/c1-4-8(9-3)6-7-10-5-2/h4-9H,1H2,2-3H3/b7-6-,10-5+
InChIKeyHLUDXLLUKPGHBB-JQEGGOPCSA-N
XLogP1.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine?
The IUPAC name of (1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine (CID 126700436) is (1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine.
What is the SMILES notation for (1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine?
The canonical SMILES for (1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine is C=CC(/C=C\N=C\C)NC.
What is the InChIKey of (1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine?
The InChIKey is HLUDXLLUKPGHBB-JQEGGOPCSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(9-3)6-7-10-5-2/h4-9H,1H2,2-3H3/b7-6-,10-5+.
What are the key properties of (1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine?
(1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine has a molecular weight of 138.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine is sourced from PubChem (CID 126700436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).