(4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine

C14H25NO — CID 145280064

IUPAC(4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine
SMILESC=C/C=C(\C=C)CCCN(CC)CCOC
InChIInChI=1S/C14H25NO/c1-5-9-14(6-2)10-8-11-15(7-3)12-13-16-4/h5-6,9H,1-2,7-8,10-13H2,3-4H3/b14-9+
InChIKeyLECAHZSTCPABTI-NTEUORMPSA-N
MW223.36 g/mol
LogP3.03
Rot. Bonds10

About (4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine

(4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine (PubChem CID 145280064) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine
PubChem CID145280064
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine
SMILESC=C/C=C(\C=C)CCCN(CC)CCOC
InChIInChI=1S/C14H25NO/c1-5-9-14(6-2)10-8-11-15(7-3)12-13-16-4/h5-6,9H,1-2,7-8,10-13H2,3-4H3/b14-9+
InChIKeyLECAHZSTCPABTI-NTEUORMPSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(e)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797148
(z)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797149
2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 144598159
4-[(2E)-2-ethylidene-6-methylhept-5-enyl]morpholine
CID 49780955
4-[(2-Methylcyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 68070947
1-(2-methoxyethyl)-3,4,7,8-tetrahydro-2H-quinoline
CID 68342296
2-[Ethyl(octa-5,7-dienyl)amino]ethanol
CID 87095805
2-[Methyl(octa-5,7-dienyl)amino]ethanol
CID 87095823
4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine
CID 89261349
N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methoxyethanamine
CID 89311458
4-[2-(2H-inden-1-yl)ethyl]morpholine
CID 90032239
2-[[(3E,5Z)-3-ethylhepta-3,5-dienyl]-methylamino]ethanol
CID 90245964

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine?
The IUPAC name of (4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine (CID 145280064) is (4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine.
What is the SMILES notation for (4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine?
The canonical SMILES for (4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine is C=C/C=C(\C=C)CCCN(CC)CCOC.
What is the InChIKey of (4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine?
The InChIKey is LECAHZSTCPABTI-NTEUORMPSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-9-14(6-2)10-8-11-15(7-3)12-13-16-4/h5-6,9H,1-2,7-8,10-13H2,3-4H3/b14-9+.
What are the key properties of (4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine?
(4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine is sourced from PubChem (CID 145280064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).