(3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine

C9H13NO — CID 130389853

IUPAC(3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine
SMILESC=CO/C(C(=C)N)=C(/C)C=C
InChIInChI=1S/C9H13NO/c1-5-7(3)9(8(4)10)11-6-2/h5-6H,1-2,4,10H2,3H3/b9-7-
InChIKeySUERMDMEBPQEEH-CLFYSBASSA-N
MW151.21 g/mol
LogP2.08
Rot. Bonds4

About (3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine

(3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine (PubChem CID 130389853) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine
PubChem CID130389853
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine
SMILESC=CO/C(C(=C)N)=C(/C)C=C
InChIInChI=1S/C9H13NO/c1-5-7(3)9(8(4)10)11-6-2/h5-6H,1-2,4,10H2,3H3/b9-7-
InChIKeySUERMDMEBPQEEH-CLFYSBASSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-5-methoxy-3-(trifluoromethyl)hepta-1,3,5-trien-4-amine
CID 162589046
(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine
CID 90137721
4-methyl-2H-pyran-3-amine
CID 117900899
(3E)-3-methoxyhexa-1,3,5-trien-2-amine
CID 130183715
(3E,5E)-5-methoxyocta-1,3,5-trien-4-amine
CID 137427546
(2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine
CID 137427593
(3E)-3-propan-2-yloxypenta-1,3-dien-2-amine
CID 139323441
(3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine
CID 142239243
ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine
CID 143256813
(3E)-3-ethoxyhexa-1,3,5-trien-2-amine
CID 143431988
(3E,5E)-5-methoxyhepta-1,3,5-trien-4-amine
CID 143442490
(3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine
CID 143557847

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine (CID 130389853) is (3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine is C=CO/C(C(=C)N)=C(/C)C=C.
What is the InChIKey of (3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine?
The InChIKey is SUERMDMEBPQEEH-CLFYSBASSA-N. The full InChI is InChI=1S/C9H13NO/c1-5-7(3)9(8(4)10)11-6-2/h5-6H,1-2,4,10H2,3H3/b9-7-.
What are the key properties of (3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine?
(3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine has a molecular weight of 151.21 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 130389853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).