(4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine

C16H29NO — CID 145280023

IUPAC(4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine
SMILESC=C/C=C(\C=C)C(CC)CCN(CC)CCOC
InChIInChI=1S/C16H29NO/c1-6-10-15(7-2)16(8-3)11-12-17(9-4)13-14-18-5/h6-7,10,16H,1-2,8-9,11-14H2,3-5H3/b15-10+
InChIKeySNEHMIXREMNUPF-XNTDXEJSSA-N
MW251.41 g/mol
LogP3.67
Rot. Bonds11

About (4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine

(4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine (PubChem CID 145280023) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine
PubChem CID145280023
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine
SMILESC=C/C=C(\C=C)C(CC)CCN(CC)CCOC
InChIInChI=1S/C16H29NO/c1-6-10-15(7-2)16(8-3)11-12-17(9-4)13-14-18-5/h6-7,10,16H,1-2,8-9,11-14H2,3-5H3/b15-10+
InChIKeySNEHMIXREMNUPF-XNTDXEJSSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.67
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

N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine
CID 156730810
4-(2-Fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine
CID 173172155
1-(2-methoxyethyl)-5-propan-2-yl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridine
CID 68342204
N-[(2S)-2-cyclohexa-2,4-dien-1-yl-2-ethenoxyethyl]-N-propan-2-ylpropan-1-amine
CID 89240463
2-[2-(4-Ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-ethylamino]ethanol
CID 89351784
4-[(2,5-Dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]morpholine
CID 91600812
N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine
CID 123365734
2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine
CID 123912502
4-[(6-Methylcyclohexa-1,3-dien-1-yl)methyl]morpholine
CID 130183387
2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine
CID 134188025
4-[2-(6-Methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine
CID 141064497
methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine
CID 142187254

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine?
The IUPAC name of (4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine (CID 145280023) is (4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine.
What is the SMILES notation for (4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine?
The canonical SMILES for (4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine is C=C/C=C(\C=C)C(CC)CCN(CC)CCOC.
What is the InChIKey of (4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine?
The InChIKey is SNEHMIXREMNUPF-XNTDXEJSSA-N. The full InChI is InChI=1S/C16H29NO/c1-6-10-15(7-2)16(8-3)11-12-17(9-4)13-14-18-5/h6-7,10,16H,1-2,8-9,11-14H2,3-5H3/b15-10+.
What are the key properties of (4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine?
(4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.67, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine is sourced from PubChem (CID 145280023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).