N-methoxy-2-methylprop-1-en-1-amine

C5H11NO — CID 56629862

IUPACN-methoxy-2-methylprop-1-en-1-amine
SMILESCONC=C(C)C
InChIInChI=1S/C5H11NO/c1-5(2)4-6-7-3/h4,6H,1-3H3
InChIKeyBJQVHIQHPYKYKF-UHFFFAOYSA-N
MW101.15 g/mol
LogP1.06
Rot. Bonds2

About N-methoxy-2-methylprop-1-en-1-amine

N-methoxy-2-methylprop-1-en-1-amine (PubChem CID 56629862) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N-methoxy-2-methylprop-1-en-1-amine.

Molecular Properties

Compound NameN-methoxy-2-methylprop-1-en-1-amine
PubChem CID56629862
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN-methoxy-2-methylprop-1-en-1-amine
SMILESCONC=C(C)C
InChIInChI=1S/C5H11NO/c1-5(2)4-6-7-3/h4,6H,1-3H3
InChIKeyBJQVHIQHPYKYKF-UHFFFAOYSA-N
XLogP1.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-methylprop-1-en-1-amine?
The IUPAC name of N-methoxy-2-methylprop-1-en-1-amine (CID 56629862) is N-methoxy-2-methylprop-1-en-1-amine.
What is the SMILES notation for N-methoxy-2-methylprop-1-en-1-amine?
The canonical SMILES for N-methoxy-2-methylprop-1-en-1-amine is CONC=C(C)C.
What is the InChIKey of N-methoxy-2-methylprop-1-en-1-amine?
The InChIKey is BJQVHIQHPYKYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(2)4-6-7-3/h4,6H,1-3H3.
What are the key properties of N-methoxy-2-methylprop-1-en-1-amine?
N-methoxy-2-methylprop-1-en-1-amine has a molecular weight of 101.15 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methylprop-1-en-1-amine is sourced from PubChem (CID 56629862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).