(3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

C11H19NO — CID 170759622

IUPAC(3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC/C=C\C(=C/C=C/OCC)CCN
InChIInChI=1S/C11H19NO/c1-3-6-11(8-9-12)7-5-10-13-4-2/h3,5-7,10H,4,8-9,12H2,1-2H3/b6-3-,10-5+,11-7+
InChIKeyOOKVNHCRQIPVJK-INBDTZIZSA-N
MW181.28 g/mol
LogP2.39
Rot. Bonds6

About (3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

(3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (PubChem CID 170759622) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
PubChem CID170759622
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC/C=C\C(=C/C=C/OCC)CCN
InChIInChI=1S/C11H19NO/c1-3-6-11(8-9-12)7-5-10-13-4-2/h3,5-7,10H,4,8-9,12H2,1-2H3/b6-3-,10-5+,11-7+
InChIKeyOOKVNHCRQIPVJK-INBDTZIZSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.39
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

(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine
CID 143806677
2-(Oxepin-4-yl)ethanamine
CID 21621507
4-[(Z)-4-methoxybut-3-enyl]-2-methylcyclohexa-2,4-dien-1-amine
CID 89073727
(5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine
CID 89154086
(E,3Z)-3-ethylidene-5-methoxyhept-4-en-6-yn-1-amine
CID 89222319
1-Methoxy-2-methylpropane;palladium;2-phenylethanamine
CID 89396703
3-Ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine
CID 90685559
8-Methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine
CID 123211860
5-Methoxy-2-methylhepta-2,4-dien-1-amine
CID 123747558
Ethanamine;1-methoxycyclohexa-1,3-diene
CID 141968490
(3Z,5Z)-4-methoxy-3-methylocta-3,5,7-trien-1-amine
CID 141975532
(3E)-3-ethenyl-4-methoxyhexa-3,5-dien-1-amine
CID 143031161

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The IUPAC name of (3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (CID 170759622) is (3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The canonical SMILES for (3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is C/C=C\C(=C/C=C/OCC)CCN.
What is the InChIKey of (3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The InChIKey is OOKVNHCRQIPVJK-INBDTZIZSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-6-11(8-9-12)7-5-10-13-4-2/h3,5-7,10H,4,8-9,12H2,1-2H3/b6-3-,10-5+,11-7+.
What are the key properties of (3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
(3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is sourced from PubChem (CID 170759622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).