(2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine

C11H17NO — CID 142550046

IUPAC(2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine
SMILESC=CCNC/C=C/C=C(\C=C)OC
InChIInChI=1S/C11H17NO/c1-4-9-12-10-7-6-8-11(5-2)13-3/h4-8,12H,1-2,9-10H2,3H3/b7-6+,11-8+
InChIKeyKFMVOXLIGFSTNJ-HRCSPUOPSA-N
MW179.26 g/mol
LogP2.03
Rot. Bonds7

About (2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine

(2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine (PubChem CID 142550046) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine
PubChem CID142550046
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine
SMILESC=CCNC/C=C/C=C(\C=C)OC
InChIInChI=1S/C11H17NO/c1-4-9-12-10-7-6-8-11(5-2)13-3/h4-8,12H,1-2,9-10H2,3H3/b7-6+,11-8+
InChIKeyKFMVOXLIGFSTNJ-HRCSPUOPSA-N
XLogP2.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.03
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

N-prop-2-enylpenta-2,4-dien-1-amine
CID 54219064
(3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene
CID 155039162
N-prop-2-enylprop-2-en-1-amine;dihydrochloride
CID 23073046
N-prop-2-enylprop-2-en-1-amine;hydrofluoride
CID 86146928
N-prop-2-enylbut-2-en-1-amine;sulfuric acid
CID 175332319
sodium;hydride;N-prop-2-enylprop-2-en-1-amine
CID 173095987
4-(prop-2-enylamino)but-2-enoic acid
CID 174638295
N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium
CID 174867425
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
(3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol
CID 126727419
N-(trimethoxysilylmethyl)prop-2-en-1-amine
CID 71365103
(E)-4-[[(2E)-penta-2,4-dienyl]amino]but-2-enoate
CID 19365037

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine (CID 142550046) is (2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine is C=CCNC/C=C/C=C(\C=C)OC.
What is the InChIKey of (2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine?
The InChIKey is KFMVOXLIGFSTNJ-HRCSPUOPSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-9-12-10-7-6-8-11(5-2)13-3/h4-8,12H,1-2,9-10H2,3H3/b7-6+,11-8+.
What are the key properties of (2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine?
(2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 142550046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).