4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine

C9H19NO — CID 64605269

IUPAC4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine
SMILESC=C(C)CNC(C)CCOC
InChIInChI=1S/C9H19NO/c1-8(2)7-10-9(3)5-6-11-4/h9-10H,1,5-7H2,2-4H3
InChIKeyMGBQHSIDNMNXRU-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds6

About 4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine

4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine (PubChem CID 64605269) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine
PubChem CID64605269
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine
SMILESC=C(C)CNC(C)CCOC
InChIInChI=1S/C9H19NO/c1-8(2)7-10-9(3)5-6-11-4/h9-10H,1,5-7H2,2-4H3
InChIKeyMGBQHSIDNMNXRU-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine?
The IUPAC name of 4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine (CID 64605269) is 4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine.
What is the SMILES notation for 4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine?
The canonical SMILES for 4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine is C=C(C)CNC(C)CCOC.
What is the InChIKey of 4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine?
The InChIKey is MGBQHSIDNMNXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)7-10-9(3)5-6-11-4/h9-10H,1,5-7H2,2-4H3.
What are the key properties of 4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine?
4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylprop-2-enyl)butan-2-amine is sourced from PubChem (CID 64605269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).