(2-amino-1-methoxy-3-methylbut-1-enyl)azanium

C6H15N2O+ — CID 146703350

IUPAC(2-amino-1-methoxy-3-methylbut-1-enyl)azanium
SMILESCOC([NH3+])=C(N)C(C)C
InChIInChI=1S/C6H14N2O/c1-4(2)5(7)6(8)9-3/h4H,7-8H2,1-3H3/p+1
InChIKeyQWXINNOWGXNBFS-UHFFFAOYSA-O
MW131.20 g/mol
LogP-0.34
Rot. Bonds2

About (2-amino-1-methoxy-3-methylbut-1-enyl)azanium

(2-amino-1-methoxy-3-methylbut-1-enyl)azanium (PubChem CID 146703350) has the molecular formula C6H15N2O+ and a molecular weight of 131.20 g/mol. Its IUPAC name is (2-amino-1-methoxy-3-methylbut-1-enyl)azanium.

Molecular Properties

Compound Name(2-amino-1-methoxy-3-methylbut-1-enyl)azanium
PubChem CID146703350
Molecular FormulaC6H15N2O+
Molecular Weight131.20 g/mol
Exact Mass131.12
IUPAC Name(2-amino-1-methoxy-3-methylbut-1-enyl)azanium
SMILESCOC([NH3+])=C(N)C(C)C
InChIInChI=1S/C6H14N2O/c1-4(2)5(7)6(8)9-3/h4H,7-8H2,1-3H3/p+1
InChIKeyQWXINNOWGXNBFS-UHFFFAOYSA-O
XLogP-0.34
TPSA62.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
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)-1-methoxy-3-methylbut-1-ene-1,2-diamine
CID 139354665
(E)-1-methoxybut-1-ene-1,2-diamine
CID 139354738
(E)-1-methoxyprop-1-ene-1,2-diamine
CID 139354826
(E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine
CID 144877664
2-Methoxy-3-methylcyclopropen-1-amine
CID 163794592
1-Methoxy-3-methylbut-1-ene-1,2-diamine
CID 146703351

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-methoxy-3-methylbut-1-enyl)azanium?
The IUPAC name of (2-amino-1-methoxy-3-methylbut-1-enyl)azanium (CID 146703350) is (2-amino-1-methoxy-3-methylbut-1-enyl)azanium.
What is the SMILES notation for (2-amino-1-methoxy-3-methylbut-1-enyl)azanium?
The canonical SMILES for (2-amino-1-methoxy-3-methylbut-1-enyl)azanium is COC([NH3+])=C(N)C(C)C.
What is the InChIKey of (2-amino-1-methoxy-3-methylbut-1-enyl)azanium?
The InChIKey is QWXINNOWGXNBFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2O/c1-4(2)5(7)6(8)9-3/h4H,7-8H2,1-3H3/p+1.
What are the key properties of (2-amino-1-methoxy-3-methylbut-1-enyl)azanium?
(2-amino-1-methoxy-3-methylbut-1-enyl)azanium has a molecular weight of 131.20 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-methoxy-3-methylbut-1-enyl)azanium is sourced from PubChem (CID 146703350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).