3-methoxypenta-3,4-dien-1-amine

C6H11NO — CID 139950067

IUPAC3-methoxypenta-3,4-dien-1-amine
SMILESC=C=C(CCN)OC
InChIInChI=1S/C6H11NO/c1-3-6(8-2)4-5-7/h1,4-5,7H2,2H3
InChIKeyFYURJYKUYHSPQN-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.65
Rot. Bonds3

About 3-methoxypenta-3,4-dien-1-amine

3-methoxypenta-3,4-dien-1-amine (PubChem CID 139950067) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-methoxypenta-3,4-dien-1-amine.

Molecular Properties

Compound Name3-methoxypenta-3,4-dien-1-amine
PubChem CID139950067
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-methoxypenta-3,4-dien-1-amine
SMILESC=C=C(CCN)OC
InChIInChI=1S/C6H11NO/c1-3-6(8-2)4-5-7/h1,4-5,7H2,2H3
InChIKeyFYURJYKUYHSPQN-UHFFFAOYSA-N
XLogP0.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Ethoxybut-3-en-1-amine
CID 89171702
3-Methoxybut-3-en-1-amine
CID 89264894
3-methoxy-N-methylbut-3-en-1-amine
CID 91537901
4-Methoxypent-4-en-2-amine
CID 123621795
3-Methoxy-2-methylpenta-3,4-dien-1-amine
CID 139950068
3-Prop-1-en-2-yloxypropan-1-amine
CID 139971945
3-[(Z)-prop-1-enoxy]but-3-en-1-amine
CID 142888321
(2R)-4-methoxypent-4-en-2-amine
CID 144958528
(E)-2-methoxybut-1-en-1-amine
CID 154548858
3-Propoxybut-3-en-1-amine
CID 155570679
3-Ethoxy-2-methylbut-3-en-1-amine
CID 164015393
4-Amino-2-methoxybut-1-en-1-one
CID 169199646

Frequently Asked Questions

What is the IUPAC name of 3-methoxypenta-3,4-dien-1-amine?
The IUPAC name of 3-methoxypenta-3,4-dien-1-amine (CID 139950067) is 3-methoxypenta-3,4-dien-1-amine.
What is the SMILES notation for 3-methoxypenta-3,4-dien-1-amine?
The canonical SMILES for 3-methoxypenta-3,4-dien-1-amine is C=C=C(CCN)OC.
What is the InChIKey of 3-methoxypenta-3,4-dien-1-amine?
The InChIKey is FYURJYKUYHSPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6(8-2)4-5-7/h1,4-5,7H2,2H3.
What are the key properties of 3-methoxypenta-3,4-dien-1-amine?
3-methoxypenta-3,4-dien-1-amine has a molecular weight of 113.16 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypenta-3,4-dien-1-amine is sourced from PubChem (CID 139950067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).