(3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine

C9H15NO — CID 155697747

IUPAC(3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine
SMILESC=C(N)C(/C=C\COC)=C\C
InChIInChI=1S/C9H15NO/c1-4-9(8(2)10)6-5-7-11-3/h4-6H,2,7,10H2,1,3H3/b6-5-,9-4-
InChIKeySQMMCVVKVUVXQO-HCJFEJOASA-N
MW153.22 g/mol
LogP1.61
Rot. Bonds4

About (3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine

(3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine (PubChem CID 155697747) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine
PubChem CID155697747
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine
SMILESC=C(N)C(/C=C\COC)=C\C
InChIInChI=1S/C9H15NO/c1-4-9(8(2)10)6-5-7-11-3/h4-6H,2,7,10H2,1,3H3/b6-5-,9-4-
InChIKeySQMMCVVKVUVXQO-HCJFEJOASA-N
XLogP1.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine
CID 169217501
(3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene
CID 143035425
(3Z,5Z)-7-methoxy-4-methylhepta-1,3,5-triene
CID 89381358
4-methoxybut-2-enoyl chloride
CID 54429402
(E)-4-[(Z)-4-methoxybut-2-enoxy]-4-oxobut-2-enoic acid
CID 90437728
(2Z,5Z)-1,7-dimethoxyhepta-2,5-diene
CID 143599769
(E)-N,N-diethyl-4-methoxybut-2-enamide
CID 154627835
tert-butyl (E)-4-methoxybut-2-enoate
CID 15545896
(4-methoxyphenyl) (2E)-2-[(Z)-3-methoxyprop-1-enyl]penta-2,4-dienoate
CID 143163540
(3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene
CID 20643241
(2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene
CID 88886083
1-methoxypent-2-ene
CID 551185

Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine?
The IUPAC name of (3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine (CID 155697747) is (3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine.
What is the SMILES notation for (3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine?
The canonical SMILES for (3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine is C=C(N)C(/C=C\COC)=C\C.
What is the InChIKey of (3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine?
The InChIKey is SQMMCVVKVUVXQO-HCJFEJOASA-N. The full InChI is InChI=1S/C9H15NO/c1-4-9(8(2)10)6-5-7-11-3/h4-6H,2,7,10H2,1,3H3/b6-5-,9-4-.
What are the key properties of (3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine?
(3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine has a molecular weight of 153.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine is sourced from PubChem (CID 155697747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).