3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine

C17H31NO — CID 123331927

IUPAC3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine
SMILESC=C(C)CCCCNCCC(=CC=C(C)OC)CC
InChIInChI=1S/C17H31NO/c1-6-17(11-10-16(4)19-5)12-14-18-13-8-7-9-15(2)3/h10-11,18H,2,6-9,12-14H2,1,3-5H3
InChIKeyZROSKMWGNXVOJT-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.60
Rot. Bonds11

About 3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine

3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine (PubChem CID 123331927) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine.

Molecular Properties

Compound Name3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine
PubChem CID123331927
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine
SMILESC=C(C)CCCCNCCC(=CC=C(C)OC)CC
InChIInChI=1S/C17H31NO/c1-6-17(11-10-16(4)19-5)12-14-18-13-8-7-9-15(2)3/h10-11,18H,2,6-9,12-14H2,1,3-5H3
InChIKeyZROSKMWGNXVOJT-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123146933
1-Methoxy-4-(3-n-propylamino)propyl-1,4-cyclohexadiene
CID 13650421
N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine
CID 89209333
N-[2-(4-methoxycyclohexa-1,3-dien-1-yl)ethyl]propan-2-amine
CID 121257797
3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine
CID 123227496
(3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine
CID 134268359
ethane;(2Z)-2-methoxy-N-[(2-methylcyclohexen-1-yl)methyl]penta-2,4-dien-1-amine
CID 141803433
2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 142187162
2-(4-methoxycyclohepta-1,3,6-trien-1-yl)-N-methylethanamine
CID 142206940
4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine
CID 142254546
ethane;4-[(3E,5E)-6-methoxyhexa-1,3,5-trien-3-yl]-1,2,3,6-tetrahydropyridine
CID 142929004
(3E)-3-[(E)-3-methoxybut-2-enylidene]-N-methylcyclohexan-1-amine
CID 142933385

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine?
The IUPAC name of 3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine (CID 123331927) is 3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine.
What is the SMILES notation for 3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine?
The canonical SMILES for 3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine is C=C(C)CCCCNCCC(=CC=C(C)OC)CC.
What is the InChIKey of 3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine?
The InChIKey is ZROSKMWGNXVOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-6-17(11-10-16(4)19-5)12-14-18-13-8-7-9-15(2)3/h10-11,18H,2,6-9,12-14H2,1,3-5H3.
What are the key properties of 3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine?
3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.60, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine is sourced from PubChem (CID 123331927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).