(8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine

C18H29NO2 — CID 118426558

IUPAC(8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine
SMILESC=C=C(CCCC/C(C=C)=C/C=C)NCCOCCOC
InChIInChI=1S/C18H29NO2/c1-5-10-17(6-2)11-8-9-12-18(7-3)19-13-14-21-16-15-20-4/h5-6,10,19H,1-3,8-9,11-16H2,4H3/b17-10+
InChIKeyGRYRAMAFLUPGJE-LICLKQGHSA-N
MW291.44 g/mol
LogP3.77
Rot. Bonds14

About (8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine

(8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine (PubChem CID 118426558) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine.

Molecular Properties

Compound Name(8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine
PubChem CID118426558
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine
SMILESC=C=C(CCCC/C(C=C)=C/C=C)NCCOCCOC
InChIInChI=1S/C18H29NO2/c1-5-10-17(6-2)11-8-9-12-18(7-3)19-13-14-21-16-15-20-4/h5-6,10,19H,1-3,8-9,11-16H2,4H3/b17-10+
InChIKeyGRYRAMAFLUPGJE-LICLKQGHSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine
CID 142463090
methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate
CID 154661224
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide
CID 71381103
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
6-(2-methoxyethoxy)-3-methylidenehex-1-ene;2-methoxyprop-1-ene
CID 144564677
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methylsulfonylpentanamide
CID 177226030
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N'-tert-butyl-N-[2-[2-[3-[2-[2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-2-oxoethoxy]ethylamino]propoxy]ethoxy]ethyl]pentanediamide
CID 156645991
9-methoxy-N-[2-[2-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]nonanamide
CID 155405230

Frequently Asked Questions

What is the IUPAC name of (8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine?
The IUPAC name of (8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine (CID 118426558) is (8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine.
What is the SMILES notation for (8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine?
The canonical SMILES for (8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine is C=C=C(CCCC/C(C=C)=C/C=C)NCCOCCOC.
What is the InChIKey of (8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine?
The InChIKey is GRYRAMAFLUPGJE-LICLKQGHSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-10-17(6-2)11-8-9-12-18(7-3)19-13-14-21-16-15-20-4/h5-6,10,19H,1-3,8-9,11-16H2,4H3/b17-10+.
What are the key properties of (8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine?
(8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine has a molecular weight of 291.44 g/mol, XLogP of 3.77, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine is sourced from PubChem (CID 118426558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).