(2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine

C10H17NO — CID 144795930

IUPAC(2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine
SMILESC=C/C=C(OC)\C(=C/C)N(C)C
InChIInChI=1S/C10H17NO/c1-6-8-10(12-5)9(7-2)11(3)4/h6-8H,1H2,2-5H3/b9-7+,10-8+
InChIKeyXDQQGOQOQHEZSO-FIFLTTCUSA-N
MW167.25 g/mol
LogP2.17
Rot. Bonds4

About (2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine

(2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine (PubChem CID 144795930) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine
PubChem CID144795930
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine
SMILESC=C/C=C(OC)\C(=C/C)N(C)C
InChIInChI=1S/C10H17NO/c1-6-8-10(12-5)9(7-2)11(3)4/h6-8H,1H2,2-5H3/b9-7+,10-8+
InChIKeyXDQQGOQOQHEZSO-FIFLTTCUSA-N
XLogP2.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-4-methoxy-5-methylidenehepta-1,3-diene
CID 169163685
(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene
CID 143496592
(2E,4E)-3,4-dimethoxyhepta-2,4,6-trien-1-ol
CID 145301395
(3Z,5E)-5-methoxy-4-(2-methylbutan-2-yl)hepta-1,3,5-triene
CID 178057179
(3E,5Z)-5-methoxy-4-propan-2-ylhepta-1,3,5-triene
CID 126634449
N-[(3E,5E)-5-methoxyhepta-1,3,5-trien-4-yl]methanimine
CID 145152774
(3Z)-3-methoxyhexa-3,5-dien-2-one;propane
CID 144684932
(2Z)-1,1,1-trifluoro-N,N-dimethylpenta-2,4-dien-2-amine
CID 139385369
N,N-dimethylhepta-1,3,5-trien-4-amine
CID 72511358
(1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine
CID 143834984
(3E)-N,N,2-trimethylpenta-1,3-dien-3-amine
CID 135214583
N-(4-methoxy-2-methyl-3-methylidenehepta-1,4,6-trienyl)ethanimidoyl chloride
CID 123361427

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine (CID 144795930) is (2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine is C=C/C=C(OC)\C(=C/C)N(C)C.
What is the InChIKey of (2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine?
The InChIKey is XDQQGOQOQHEZSO-FIFLTTCUSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-8-10(12-5)9(7-2)11(3)4/h6-8H,1H2,2-5H3/b9-7+,10-8+.
What are the key properties of (2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine?
(2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine has a molecular weight of 167.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 144795930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).