4-methoxy-2-methylpent-1-en-3-amine

C7H15NO — CID 55284310

IUPAC4-methoxy-2-methylpent-1-en-3-amine
SMILESC=C(C)C(N)C(C)OC
InChIInChI=1S/C7H15NO/c1-5(2)7(8)6(3)9-4/h6-7H,1,8H2,2-4H3
InChIKeyYEHFJDXHIWYVKP-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.92
Rot. Bonds3

About 4-methoxy-2-methylpent-1-en-3-amine

4-methoxy-2-methylpent-1-en-3-amine (PubChem CID 55284310) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-methoxy-2-methylpent-1-en-3-amine.

Molecular Properties

Compound Name4-methoxy-2-methylpent-1-en-3-amine
PubChem CID55284310
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-methoxy-2-methylpent-1-en-3-amine
SMILESC=C(C)C(N)C(C)OC
InChIInChI=1S/C7H15NO/c1-5(2)7(8)6(3)9-4/h6-7H,1,8H2,2-4H3
InChIKeyYEHFJDXHIWYVKP-UHFFFAOYSA-N
XLogP0.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxy-4-methylpent-4-en-2-amine
CID 79179787
(2S,3R)-3-amino-4-methylpent-4-en-2-ol
CID 138548677
(2R)-3-amino-4-methylpent-4-en-2-ol
CID 144973507
(2R,3R)-3-amino-4-methylpent-4-en-2-ol
CID 144973510
(1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine
CID 166691649
5-Methoxy-2-methylcyclopent-2-en-1-amine
CID 169841950
3-Methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
CID 23297116
1-Methoxy-3-methylbut-3-en-2-amine
CID 79177933
4-Ethoxy-2-methylpent-1-en-3-amine
CID 79179044
1-Ethoxy-3-methylbut-3-en-2-amine
CID 79179064
4-Methoxypent-1-en-3-amine
CID 79609957
2-Methoxyhex-5-en-3-amine
CID 79610193

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylpent-1-en-3-amine?
The IUPAC name of 4-methoxy-2-methylpent-1-en-3-amine (CID 55284310) is 4-methoxy-2-methylpent-1-en-3-amine.
What is the SMILES notation for 4-methoxy-2-methylpent-1-en-3-amine?
The canonical SMILES for 4-methoxy-2-methylpent-1-en-3-amine is C=C(C)C(N)C(C)OC.
What is the InChIKey of 4-methoxy-2-methylpent-1-en-3-amine?
The InChIKey is YEHFJDXHIWYVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(2)7(8)6(3)9-4/h6-7H,1,8H2,2-4H3.
What are the key properties of 4-methoxy-2-methylpent-1-en-3-amine?
4-methoxy-2-methylpent-1-en-3-amine has a molecular weight of 129.20 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylpent-1-en-3-amine is sourced from PubChem (CID 55284310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).