(Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine

C11H19NO — CID 89260329

IUPAC(Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine
SMILESC=C=C(C/C(=C/C)OCC)[C@H](C)N
InChIInChI=1S/C11H19NO/c1-5-10(9(4)12)8-11(6-2)13-7-3/h6,9H,1,7-8,12H2,2-4H3/b11-6-/t9-/m0/s1
InChIKeyCEWZDEFELWGMJJ-ISAHRAOESA-N
MW181.28 g/mol
LogP2.38
Rot. Bonds5

About (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine

(Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine (PubChem CID 89260329) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine.

Molecular Properties

Compound Name(Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine
PubChem CID89260329
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine
SMILESC=C=C(C/C(=C/C)OCC)[C@H](C)N
InChIInChI=1S/C11H19NO/c1-5-10(9(4)12)8-11(6-2)13-7-3/h6,9H,1,7-8,12H2,2-4H3/b11-6-/t9-/m0/s1
InChIKeyCEWZDEFELWGMJJ-ISAHRAOESA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(2-Methylpropan-2-yl)oxy]cyclohexa-1,4-dien-1-yl]ethanamine
CID 19918604
1-[(1S)-1-aminoethyl]-4-methoxy-1,4-cyclohexadiene
CID 54552279
(Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine
CID 89153811
(5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine
CID 89154086
(3R)-5-ethoxy-3-[(Z)-prop-1-enyl]hepta-5,6-dien-2-amine
CID 124095390
Ethane;1-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine
CID 141794460
4-Ethoxycyclohex-3-en-1-amine
CID 142399307
6-ethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran-4-amine
CID 143673779
(Z)-1-ethoxy-7-methyloct-5-en-4-amine
CID 146227712
(E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine
CID 166734974
6-ethyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-amine
CID 178678849
(Z)-5-butoxy-4-methylhex-4-en-2-amine
CID 178985216

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine?
The IUPAC name of (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine (CID 89260329) is (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine.
What is the SMILES notation for (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine?
The canonical SMILES for (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine is C=C=C(C/C(=C/C)OCC)[C@H](C)N.
What is the InChIKey of (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine?
The InChIKey is CEWZDEFELWGMJJ-ISAHRAOESA-N. The full InChI is InChI=1S/C11H19NO/c1-5-10(9(4)12)8-11(6-2)13-7-3/h6,9H,1,7-8,12H2,2-4H3/b11-6-/t9-/m0/s1.
What are the key properties of (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine?
(Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine is sourced from PubChem (CID 89260329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).