5-(aminomethoxy)-N-methylpent-4-en-2-amine

C7H16N2O — CID 165007612

IUPAC5-(aminomethoxy)-N-methylpent-4-en-2-amine
SMILESCNC(C)CC=COCN
InChIInChI=1S/C7H16N2O/c1-7(9-2)4-3-5-10-6-8/h3,5,7,9H,4,6,8H2,1-2H3
InChIKeyJEZUQTCKOLREIT-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.43
Rot. Bonds5

About 5-(aminomethoxy)-N-methylpent-4-en-2-amine

5-(aminomethoxy)-N-methylpent-4-en-2-amine (PubChem CID 165007612) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 5-(aminomethoxy)-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name5-(aminomethoxy)-N-methylpent-4-en-2-amine
PubChem CID165007612
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name5-(aminomethoxy)-N-methylpent-4-en-2-amine
SMILESCNC(C)CC=COCN
InChIInChI=1S/C7H16N2O/c1-7(9-2)4-3-5-10-6-8/h3,5,7,9H,4,6,8H2,1-2H3
InChIKeyJEZUQTCKOLREIT-UHFFFAOYSA-N
XLogP0.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethoxy)-N-methylpent-4-en-2-amine?
The IUPAC name of 5-(aminomethoxy)-N-methylpent-4-en-2-amine (CID 165007612) is 5-(aminomethoxy)-N-methylpent-4-en-2-amine.
What is the SMILES notation for 5-(aminomethoxy)-N-methylpent-4-en-2-amine?
The canonical SMILES for 5-(aminomethoxy)-N-methylpent-4-en-2-amine is CNC(C)CC=COCN.
What is the InChIKey of 5-(aminomethoxy)-N-methylpent-4-en-2-amine?
The InChIKey is JEZUQTCKOLREIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(9-2)4-3-5-10-6-8/h3,5,7,9H,4,6,8H2,1-2H3.
What are the key properties of 5-(aminomethoxy)-N-methylpent-4-en-2-amine?
5-(aminomethoxy)-N-methylpent-4-en-2-amine has a molecular weight of 144.22 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethoxy)-N-methylpent-4-en-2-amine is sourced from PubChem (CID 165007612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).