ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine

C15H29NO — CID 142183657

IUPACethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine
SMILESC=C/C=C(\C=C)C(OCC)C(C)NCC.CC
InChIInChI=1S/C13H23NO.C2H6/c1-6-10-12(7-2)13(15-9-4)11(5)14-8-3;1-2/h6-7,10-11,13-14H,1-2,8-9H2,3-5H3;1-2H3/b12-10+;
InChIKeyHKYOXWIREYGPRD-VHPXAQPISA-N
MW239.40 g/mol
LogP3.71
Rot. Bonds8

About ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine

ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine (PubChem CID 142183657) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine.

Molecular Properties

Compound Nameethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine
PubChem CID142183657
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine
SMILESC=C/C=C(\C=C)C(OCC)C(C)NCC.CC
InChIInChI=1S/C13H23NO.C2H6/c1-6-10-12(7-2)13(15-9-4)11(5)14-8-3;1-2/h6-7,10-11,13-14H,1-2,8-9H2,3-5H3;1-2H3/b12-10+;
InChIKeyHKYOXWIREYGPRD-VHPXAQPISA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.71
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

4-(2-amino-3-fluoro-1-methoxypropyl)-N-(2-fluorobutyl)cyclohepta-2,4,6-trien-1-amine
CID 129313584
(Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine
CID 129313612
(E,2S)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224603
(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224605
N-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
CID 134224689
N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
CID 142279459
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
1-[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279546
N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
CID 145138560
1-[(3S,6S)-4,5-bis(ethenyl)-3-fluoro-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279477
N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine
CID 70997088
2-[(1E,3E)-octa-1,3-dienyl]morpholine
CID 88282315

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine?
The IUPAC name of ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine (CID 142183657) is ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine.
What is the SMILES notation for ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine?
The canonical SMILES for ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine is C=C/C=C(\C=C)C(OCC)C(C)NCC.CC.
What is the InChIKey of ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine?
The InChIKey is HKYOXWIREYGPRD-VHPXAQPISA-N. The full InChI is InChI=1S/C13H23NO.C2H6/c1-6-10-12(7-2)13(15-9-4)11(5)14-8-3;1-2/h6-7,10-11,13-14H,1-2,8-9H2,3-5H3;1-2H3/b12-10+;.
What are the key properties of ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine?
ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine is sourced from PubChem (CID 142183657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).