(2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine

C8H14N2 — CID 142226761

IUPAC(2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine
SMILESC/C=N/CC=C/C=C/CN
InChIInChI=1S/C8H14N2/c1-2-10-8-6-4-3-5-7-9/h2-6H,7-9H2,1H3/b5-3+,6-4?,10-2+
InChIKeyMBRCNJLLVDRNJQ-CIWLWIMDSA-N
MW138.21 g/mol
LogP1.15
Rot. Bonds4

About (2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine

(2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine (PubChem CID 142226761) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine
PubChem CID142226761
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine
SMILESC/C=N/CC=C/C=C/CN
InChIInChI=1S/C8H14N2/c1-2-10-8-6-4-3-5-7-9/h2-6H,7-9H2,1H3/b5-3+,6-4?,10-2+
InChIKeyMBRCNJLLVDRNJQ-CIWLWIMDSA-N
XLogP1.15
TPSA38.38 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 ≤ 51.15
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 (2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine?
The IUPAC name of (2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine (CID 142226761) is (2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine.
What is the SMILES notation for (2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine?
The canonical SMILES for (2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine is C/C=N/CC=C/C=C/CN.
What is the InChIKey of (2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine?
The InChIKey is MBRCNJLLVDRNJQ-CIWLWIMDSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-10-8-6-4-3-5-7-9/h2-6H,7-9H2,1H3/b5-3+,6-4?,10-2+.
What are the key properties of (2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine?
(2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine is sourced from PubChem (CID 142226761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).