(2E,4E)-5-methoxyhexa-2,4-dien-2-amine

C7H13NO — CID 130240317

IUPAC(2E,4E)-5-methoxyhexa-2,4-dien-2-amine
SMILESCO/C(C)=C/C=C(\C)N
InChIInChI=1S/C7H13NO/c1-6(8)4-5-7(2)9-3/h4-5H,8H2,1-3H3/b6-4+,7-5+
InChIKeyITDNGNHKPPRWNH-YDFGWWAZSA-N
MW127.19 g/mol
LogP1.40
Rot. Bonds2

About (2E,4E)-5-methoxyhexa-2,4-dien-2-amine

(2E,4E)-5-methoxyhexa-2,4-dien-2-amine (PubChem CID 130240317) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2E,4E)-5-methoxyhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-methoxyhexa-2,4-dien-2-amine
PubChem CID130240317
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2E,4E)-5-methoxyhexa-2,4-dien-2-amine
SMILESCO/C(C)=C/C=C(\C)N
InChIInChI=1S/C7H13NO/c1-6(8)4-5-7(2)9-3/h4-5H,8H2,1-3H3/b6-4+,7-5+
InChIKeyITDNGNHKPPRWNH-YDFGWWAZSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
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

(2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine
CID 143895507
(3E)-5-fluoro-4-methoxyhexa-1,3,5-trien-2-amine
CID 144042138
(2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine
CID 156566216
(2E)-4-methoxypenta-2,4-dien-2-amine
CID 88529526
(1E,3E,5Z)-1-methoxyhepta-1,3,5-trien-3-amine
CID 88590096
(3E,5E)-6-methoxyhepta-1,3,5-trien-3-amine
CID 88997185
(1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine
CID 89010016
(2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol
CID 126760692
(2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine
CID 129115465
(2E,4E)-5-aminohexa-2,4-dien-2-ol
CID 135128469
(Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine
CID 138645319
(1E,3E,5E)-1,6-dimethoxyhepta-1,3,5-trien-3-amine
CID 138710975

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-methoxyhexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-5-methoxyhexa-2,4-dien-2-amine (CID 130240317) is (2E,4E)-5-methoxyhexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-5-methoxyhexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-5-methoxyhexa-2,4-dien-2-amine is CO/C(C)=C/C=C(\C)N.
What is the InChIKey of (2E,4E)-5-methoxyhexa-2,4-dien-2-amine?
The InChIKey is ITDNGNHKPPRWNH-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(8)4-5-7(2)9-3/h4-5H,8H2,1-3H3/b6-4+,7-5+.
What are the key properties of (2E,4E)-5-methoxyhexa-2,4-dien-2-amine?
(2E,4E)-5-methoxyhexa-2,4-dien-2-amine has a molecular weight of 127.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-methoxyhexa-2,4-dien-2-amine is sourced from PubChem (CID 130240317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).