5-ethoxy-4-ethylidenehept-2-en-1-amine

C11H21NO — CID 90939292

IUPAC5-ethoxy-4-ethylidenehept-2-en-1-amine
SMILESCC=C(C=CCN)C(CC)OCC
InChIInChI=1S/C11H21NO/c1-4-10(8-7-9-12)11(5-2)13-6-3/h4,7-8,11H,5-6,9,12H2,1-3H3
InChIKeyNDRJMLDRGGJOOQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.26
Rot. Bonds6

About 5-ethoxy-4-ethylidenehept-2-en-1-amine

5-ethoxy-4-ethylidenehept-2-en-1-amine (PubChem CID 90939292) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5-ethoxy-4-ethylidenehept-2-en-1-amine.

Molecular Properties

Compound Name5-ethoxy-4-ethylidenehept-2-en-1-amine
PubChem CID90939292
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5-ethoxy-4-ethylidenehept-2-en-1-amine
SMILESCC=C(C=CCN)C(CC)OCC
InChIInChI=1S/C11H21NO/c1-4-10(8-7-9-12)11(5-2)13-6-3/h4,7-8,11H,5-6,9,12H2,1-3H3
InChIKeyNDRJMLDRGGJOOQ-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.26
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

1-[4-(2,2-Difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]ethanamine
CID 87688738
[4-(2,2-Difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine
CID 87688749
1-[5-Methyl-4-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 144367108
(4-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 55289776
1-(6-Methoxy-6,7-dihydronaphthalen-2-yl)propan-2-amine
CID 70917892
(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine
CID 88920479
3-(Methoxymethyl)-2-methylcyclohexa-2,4-dien-1-amine
CID 88985054
(Z)-4-methoxyhept-2-en-1-amine
CID 89073845
(2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine
CID 89151483
(5-Methoxycyclohexa-1,3-dien-1-yl)methanamine
CID 89191435
2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine
CID 89473311
(Z,2E)-5-[(1R)-cyclohexa-2,4-dien-1-yl]oxy-2-ethylidene-N-methylpent-3-en-1-amine
CID 89519127

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-ethylidenehept-2-en-1-amine?
The IUPAC name of 5-ethoxy-4-ethylidenehept-2-en-1-amine (CID 90939292) is 5-ethoxy-4-ethylidenehept-2-en-1-amine.
What is the SMILES notation for 5-ethoxy-4-ethylidenehept-2-en-1-amine?
The canonical SMILES for 5-ethoxy-4-ethylidenehept-2-en-1-amine is CC=C(C=CCN)C(CC)OCC.
What is the InChIKey of 5-ethoxy-4-ethylidenehept-2-en-1-amine?
The InChIKey is NDRJMLDRGGJOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-10(8-7-9-12)11(5-2)13-6-3/h4,7-8,11H,5-6,9,12H2,1-3H3.
What are the key properties of 5-ethoxy-4-ethylidenehept-2-en-1-amine?
5-ethoxy-4-ethylidenehept-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-ethylidenehept-2-en-1-amine is sourced from PubChem (CID 90939292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).