(E)-5-methoxy-N-methylpent-3-en-1-amine

C7H15NO — CID 143749097

IUPAC(E)-5-methoxy-N-methylpent-3-en-1-amine
SMILESCNCC/C=C/COC
InChIInChI=1S/C7H15NO/c1-8-6-4-3-5-7-9-2/h3,5,8H,4,6-7H2,1-2H3/b5-3+
InChIKeyMFJRXZDHLLLTTL-HWKANZROSA-N
MW129.20 g/mol
LogP0.80
Rot. Bonds5

About (E)-5-methoxy-N-methylpent-3-en-1-amine

(E)-5-methoxy-N-methylpent-3-en-1-amine (PubChem CID 143749097) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E)-5-methoxy-N-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-methoxy-N-methylpent-3-en-1-amine
PubChem CID143749097
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E)-5-methoxy-N-methylpent-3-en-1-amine
SMILESCNCC/C=C/COC
InChIInChI=1S/C7H15NO/c1-8-6-4-3-5-7-9-2/h3,5,8H,4,6-7H2,1-2H3/b5-3+
InChIKeyMFJRXZDHLLLTTL-HWKANZROSA-N
XLogP0.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-methylbut-2-en-1-amine
CID 54452515
(E)-4-methoxy-N-methylbut-2-en-1-amine
CID 58916002
6-Methoxy-1,2,3,6-tetrahydropyridine
CID 70426649
1-(2,5-dihydrofuran-2-yl)-N-methylmethanamine
CID 89285095
6-Methoxy-3-methyl-1,2,3,6-tetrahydropyridine
CID 89642580
N-methyl-3,6-dihydro-2H-pyran-2-amine
CID 121271675
N-(pent-2-enoxymethyl)ethanamine
CID 122608179
N-methyl-1-pent-2-enoxymethanamine
CID 122695119
N-ethyl-3,6-dihydro-2H-pyran-2-amine
CID 143576066
6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine
CID 143591895
2,6-Dimethoxy-1,2,3,6-tetrahydropyridine
CID 160599293
(Z)-1-methoxypent-2-en-1-amine
CID 163789221

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-N-methylpent-3-en-1-amine?
The IUPAC name of (E)-5-methoxy-N-methylpent-3-en-1-amine (CID 143749097) is (E)-5-methoxy-N-methylpent-3-en-1-amine.
What is the SMILES notation for (E)-5-methoxy-N-methylpent-3-en-1-amine?
The canonical SMILES for (E)-5-methoxy-N-methylpent-3-en-1-amine is CNCC/C=C/COC.
What is the InChIKey of (E)-5-methoxy-N-methylpent-3-en-1-amine?
The InChIKey is MFJRXZDHLLLTTL-HWKANZROSA-N. The full InChI is InChI=1S/C7H15NO/c1-8-6-4-3-5-7-9-2/h3,5,8H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of (E)-5-methoxy-N-methylpent-3-en-1-amine?
(E)-5-methoxy-N-methylpent-3-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-N-methylpent-3-en-1-amine is sourced from PubChem (CID 143749097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).