5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine

C11H18N2 — CID 137427561

IUPAC5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine
SMILESC=CC(CC(=C)/N=C/C)NC(=C)C
InChIInChI=1S/C11H18N2/c1-6-11(13-9(3)4)8-10(5)12-7-2/h6-7,11,13H,1,3,5,8H2,2,4H3/b12-7+
InChIKeyCJIINAFYBFVYEK-KPKJPENVSA-N
MW178.28 g/mol
LogP2.66
Rot. Bonds6

About 5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine

5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine (PubChem CID 137427561) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine.

Molecular Properties

Compound Name5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine
PubChem CID137427561
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine
SMILESC=CC(CC(=C)/N=C/C)NC(=C)C
InChIInChI=1S/C11H18N2/c1-6-11(13-9(3)4)8-10(5)12-7-2/h6-7,11,13H,1,3,5,8H2,2,4H3/b12-7+
InChIKeyCJIINAFYBFVYEK-KPKJPENVSA-N
XLogP2.66
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 ≤ 52.66
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 5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine?
The IUPAC name of 5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine (CID 137427561) is 5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine.
What is the SMILES notation for 5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine?
The canonical SMILES for 5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine is C=CC(CC(=C)/N=C/C)NC(=C)C.
What is the InChIKey of 5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine?
The InChIKey is CJIINAFYBFVYEK-KPKJPENVSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-11(13-9(3)4)8-10(5)12-7-2/h6-7,11,13H,1,3,5,8H2,2,4H3/b12-7+.
What are the key properties of 5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine?
5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine has a molecular weight of 178.28 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine is sourced from PubChem (CID 137427561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).