(2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine

C9H17NO — CID 88892028

IUPAC(2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C/C(C)OC)NC
InChIInChI=1S/C9H17NO/c1-5-9(10-3)7-6-8(2)11-4/h5-8,10H,1-4H3/b7-6-,9-5+
InChIKeyKHHFFKBZJSFCQQ-QRLJIZSYSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds4

About (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine

(2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine (PubChem CID 88892028) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine
PubChem CID88892028
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C/C(C)OC)NC
InChIInChI=1S/C9H17NO/c1-5-9(10-3)7-6-8(2)11-4/h5-8,10H,1-4H3/b7-6-,9-5+
InChIKeyKHHFFKBZJSFCQQ-QRLJIZSYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine with MolForge

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Launch Full Analysis

Related Compounds

(7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine
CID 134286841
4-fluoro-3-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
CID 142969724
(2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine
CID 155470395
(E)-4-(1-fluoroethoxy)-N-methylpent-2-en-2-amine
CID 156450894
(4Z,6Z,9Z)-8-(2,2-difluoroethoxy)-N-methylundeca-4,6,9-trien-5-amine
CID 173983026
4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 70218656
(3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine
CID 89088325
(4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine
CID 89474041
(3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol
CID 90295812
(3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine
CID 130291942
(3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine
CID 134333921
(3E)-5-methoxy-N-propylhexa-3,5-dien-3-amine
CID 134334085

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine (CID 88892028) is (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine is C/C=C(\C=C/C(C)OC)NC.
What is the InChIKey of (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine?
The InChIKey is KHHFFKBZJSFCQQ-QRLJIZSYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-9(10-3)7-6-8(2)11-4/h5-8,10H,1-4H3/b7-6-,9-5+.
What are the key properties of (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine?
(2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine is sourced from PubChem (CID 88892028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).