(3E)-4-methoxypenta-1,3-dien-2-amine

C6H11NO — CID 142106439

IUPAC(3E)-4-methoxypenta-1,3-dien-2-amine
SMILESC=C(N)/C=C(\C)OC
InChIInChI=1S/C6H11NO/c1-5(7)4-6(2)8-3/h4H,1,7H2,2-3H3/b6-4+
InChIKeyNSZJHLFPXRCHFN-GQCTYLIASA-N
MW113.16 g/mol
LogP1.01
Rot. Bonds2

About (3E)-4-methoxypenta-1,3-dien-2-amine

(3E)-4-methoxypenta-1,3-dien-2-amine (PubChem CID 142106439) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3E)-4-methoxypenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-4-methoxypenta-1,3-dien-2-amine
PubChem CID142106439
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3E)-4-methoxypenta-1,3-dien-2-amine
SMILESC=C(N)/C=C(\C)OC
InChIInChI=1S/C6H11NO/c1-5(7)4-6(2)8-3/h4H,1,7H2,2-3H3/b6-4+
InChIKeyNSZJHLFPXRCHFN-GQCTYLIASA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.01
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
(1E,3E)-5-chloro-1-methoxyhexa-1,3,5-triene-1,3-diamine
CID 89044529
O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine
CID 89161120
(1Z,3Z)-1-methoxyhexa-1,3,5-triene-1,2-diamine
CID 89198794
O-[(2E)-4-aminopenta-2,4-dien-2-yl]hydroxylamine
CID 90453737
(3E,5E)-5-methoxyhepta-1,3,5-trien-3-amine
CID 118085791

Frequently Asked Questions

What is the IUPAC name of (3E)-4-methoxypenta-1,3-dien-2-amine?
The IUPAC name of (3E)-4-methoxypenta-1,3-dien-2-amine (CID 142106439) is (3E)-4-methoxypenta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-4-methoxypenta-1,3-dien-2-amine?
The canonical SMILES for (3E)-4-methoxypenta-1,3-dien-2-amine is C=C(N)/C=C(\C)OC.
What is the InChIKey of (3E)-4-methoxypenta-1,3-dien-2-amine?
The InChIKey is NSZJHLFPXRCHFN-GQCTYLIASA-N. The full InChI is InChI=1S/C6H11NO/c1-5(7)4-6(2)8-3/h4H,1,7H2,2-3H3/b6-4+.
What are the key properties of (3E)-4-methoxypenta-1,3-dien-2-amine?
(3E)-4-methoxypenta-1,3-dien-2-amine has a molecular weight of 113.16 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methoxypenta-1,3-dien-2-amine is sourced from PubChem (CID 142106439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).