(E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine

C13H19NO — CID 142518700

IUPAC(E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine
SMILESCOC(=C(\C)N)/C(C)=C1/C=CC=CC1C
InChIInChI=1S/C13H19NO/c1-9-7-5-6-8-12(9)10(2)13(15-4)11(3)14/h5-9H,14H2,1-4H3/b12-10-,13-11+
InChIKeyYZSPGXBTXUHZNW-PJABCKPXSA-N
MW205.30 g/mol
LogP2.90
Rot. Bonds2

About (E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine

(E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine (PubChem CID 142518700) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine.

Molecular Properties

Compound Name(E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine
PubChem CID142518700
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine
SMILESCOC(=C(\C)N)/C(C)=C1/C=CC=CC1C
InChIInChI=1S/C13H19NO/c1-9-7-5-6-8-12(9)10(2)13(15-4)11(3)14/h5-9H,14H2,1-4H3/b12-10-,13-11+
InChIKeyYZSPGXBTXUHZNW-PJABCKPXSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Paramethylanisidine
CID 69626332
(Z)-1-amino-1-(4-ethoxycyclohexa-2,4-dien-1-yl)prop-1-en-2-ol
CID 69080264
(3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine
CID 88936644
2-Methoxycyclohexa-1,3-dien-1-amine
CID 89035381
(3E,5Z,7E)-5-methoxy-6,7-dimethylnona-3,5,7-trien-3-amine
CID 89240453
3-Methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine
CID 118242317
6-Methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine
CID 123947578
(2E,4Z,6Z)-5-ethoxy-4-[(E)-prop-1-enyl]octa-2,4,6-trien-2-amine
CID 126711921
(3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine
CID 126735355
4-Tert-butyl-5-methoxycyclohepta-1,3,5-trien-1-amine
CID 130414536
methane;1-[(2E)-2-[(3Z)-5-methoxyhexa-3,5-dien-2-ylidene]cyclopropyl]ethenamine
CID 132265194
2-(3-Methylbuta-1,3-dien-2-yloxy)cyclohexa-1,5-dien-1-amine
CID 134354789

Frequently Asked Questions

What is the IUPAC name of (E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine?
The IUPAC name of (E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine (CID 142518700) is (E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine.
What is the SMILES notation for (E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine?
The canonical SMILES for (E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine is COC(=C(\C)N)/C(C)=C1/C=CC=CC1C.
What is the InChIKey of (E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine?
The InChIKey is YZSPGXBTXUHZNW-PJABCKPXSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-7-5-6-8-12(9)10(2)13(15-4)11(3)14/h5-9H,14H2,1-4H3/b12-10-,13-11+.
What are the key properties of (E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine?
(E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine is sourced from PubChem (CID 142518700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).