(3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine

C11H19NO — CID 144586172

IUPAC(3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine
SMILESC=C/C(OC)=C(C)\C(=C/C)CCN
InChIInChI=1S/C11H19NO/c1-5-10(7-8-12)9(3)11(6-2)13-4/h5-6H,2,7-8,12H2,1,3-4H3/b10-5-,11-9+
InChIKeySDYFUICUIIIJNG-SFWZLBEHSA-N
MW181.28 g/mol
LogP2.39
Rot. Bonds5

About (3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine

(3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine (PubChem CID 144586172) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine
PubChem CID144586172
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine
SMILESC=C/C(OC)=C(C)\C(=C/C)CCN
InChIInChI=1S/C11H19NO/c1-5-10(7-8-12)9(3)11(6-2)13-4/h5-6H,2,7-8,12H2,1,3-4H3/b10-5-,11-9+
InChIKeySDYFUICUIIIJNG-SFWZLBEHSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

(3Z,5E)-3-ethyl-7-fluoro-6-methoxyhepta-3,5-dien-1-amine
CID 145615449
(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine
CID 143806677
(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
CID 143806728
(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine
CID 88585562
(2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine
CID 89151483
[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine
CID 89316193
(4-Methoxycyclohexa-2,4-dien-1-yl)methanamine
CID 89671964
5-Methoxy-3,8-dimethylnona-3,5,7-trien-1-amine
CID 90796927
2-(3-Methoxycyclohepta-1,3,6-trien-1-yl)ethanamine
CID 90818419
5-(2-Methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine
CID 123645511
4-(1-Bromoethylidene)-6-methoxyhept-5-en-1-amine
CID 123848462
3-Ethylidene-6-methoxy-4-methylhepta-4,6-dien-1-amine
CID 124008979

Frequently Asked Questions

What is the IUPAC name of (3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine?
The IUPAC name of (3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine (CID 144586172) is (3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine.
What is the SMILES notation for (3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine?
The canonical SMILES for (3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine is C=C/C(OC)=C(C)\C(=C/C)CCN.
What is the InChIKey of (3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine?
The InChIKey is SDYFUICUIIIJNG-SFWZLBEHSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-10(7-8-12)9(3)11(6-2)13-4/h5-6H,2,7-8,12H2,1,3-4H3/b10-5-,11-9+.
What are the key properties of (3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine?
(3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine is sourced from PubChem (CID 144586172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).