(2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine

C17H29NO2 — CID 142463090

IUPAC(2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)CNC(=C)CCCCOCCOCC
InChIInChI=1S/C17H29NO2/c1-5-10-17(6-2)15-18-16(4)11-8-9-12-20-14-13-19-7-3/h5-6,10,18H,1-2,4,7-9,11-15H2,3H3/b17-10+
InChIKeyCROHMTXOODAQJT-LICLKQGHSA-N
MW279.42 g/mol
LogP3.61
Rot. Bonds14

About (2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine

(2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine (PubChem CID 142463090) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is (2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine
PubChem CID142463090
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name(2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)CNC(=C)CCCCOCCOCC
InChIInChI=1S/C17H29NO2/c1-5-10-17(6-2)15-18-16(4)11-8-9-12-20-14-13-19-7-3/h5-6,10,18H,1-2,4,7-9,11-15H2,3H3/b17-10+
InChIKeyCROHMTXOODAQJT-LICLKQGHSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.61
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

ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene
CID 154661218
(8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine
CID 118426558
(3E)-3-(ethoxymethyl)hexa-1,3,5-triene
CID 87413665
1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine
CID 177020946
11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592
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
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343
tert-butyl 6-[2-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]ethoxy]ethoxy]hexanoate
CID 168969824
N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide
CID 143081819
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethoxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 22918013
4-ethoxy-N-(2-methylprop-2-enyl)butanamide
CID 114618597

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine (CID 142463090) is (2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine is C=C/C=C(\C=C)CNC(=C)CCCCOCCOCC.
What is the InChIKey of (2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine?
The InChIKey is CROHMTXOODAQJT-LICLKQGHSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-10-17(6-2)15-18-16(4)11-8-9-12-20-14-13-19-7-3/h5-6,10,18H,1-2,4,7-9,11-15H2,3H3/b17-10+.
What are the key properties of (2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine?
(2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.61, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine is sourced from PubChem (CID 142463090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).