(E)-2-methoxypent-2-en-3-amine

C6H13NO — CID 156715043

IUPAC(E)-2-methoxypent-2-en-3-amine
SMILESCC/C(N)=C(/C)OC
InChIInChI=1S/C6H13NO/c1-4-6(7)5(2)8-3/h4,7H2,1-3H3/b6-5+
InChIKeyYJFKGOWLEUVQBH-AATRIKPKSA-N
MW115.18 g/mol
LogP1.23
Rot. Bonds2

About (E)-2-methoxypent-2-en-3-amine

(E)-2-methoxypent-2-en-3-amine (PubChem CID 156715043) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (E)-2-methoxypent-2-en-3-amine.

Molecular Properties

Compound Name(E)-2-methoxypent-2-en-3-amine
PubChem CID156715043
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(E)-2-methoxypent-2-en-3-amine
SMILESCC/C(N)=C(/C)OC
InChIInChI=1S/C6H13NO/c1-4-6(7)5(2)8-3/h4,7H2,1-3H3/b6-5+
InChIKeyYJFKGOWLEUVQBH-AATRIKPKSA-N
XLogP1.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.23
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

(E)-2-[(E)-3-aminopent-2-en-2-yl]oxypent-2-en-3-amine
CID 88763674
(E)-3-aminopent-2-en-2-ol
CID 88857518
(Z)-3-methoxybut-2-en-2-amine
CID 130248747
(Z)-4-methoxy-2,5-dimethylhex-3-en-3-amine
CID 134482104
(Z)-4-propoxyhex-3-en-3-amine
CID 163913866
(Z)-3-methoxy-N-methylpent-2-en-2-amine
CID 163487060

Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxypent-2-en-3-amine?
The IUPAC name of (E)-2-methoxypent-2-en-3-amine (CID 156715043) is (E)-2-methoxypent-2-en-3-amine.
What is the SMILES notation for (E)-2-methoxypent-2-en-3-amine?
The canonical SMILES for (E)-2-methoxypent-2-en-3-amine is CC/C(N)=C(/C)OC.
What is the InChIKey of (E)-2-methoxypent-2-en-3-amine?
The InChIKey is YJFKGOWLEUVQBH-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-6(7)5(2)8-3/h4,7H2,1-3H3/b6-5+.
What are the key properties of (E)-2-methoxypent-2-en-3-amine?
(E)-2-methoxypent-2-en-3-amine has a molecular weight of 115.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxypent-2-en-3-amine is sourced from PubChem (CID 156715043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).