1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine

C9H17NO — CID 65047566

IUPAC1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine
SMILESC#CCNC(COC)C(C)C
InChIInChI=1S/C9H17NO/c1-5-6-10-9(7-11-4)8(2)3/h1,8-10H,6-7H2,2-4H3
InChIKeyFKQARIKBACKIFM-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds5

About 1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine

1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine (PubChem CID 65047566) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine
PubChem CID65047566
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine
SMILESC#CCNC(COC)C(C)C
InChIInChI=1S/C9H17NO/c1-5-6-10-9(7-11-4)8(2)3/h1,8-10H,6-7H2,2-4H3
InChIKeyFKQARIKBACKIFM-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine (CID 65047566) is 1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine is C#CCNC(COC)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine?
The InChIKey is FKQARIKBACKIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-10-9(7-11-4)8(2)3/h1,8-10H,6-7H2,2-4H3.
What are the key properties of 1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine?
1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine has a molecular weight of 155.24 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine is sourced from PubChem (CID 65047566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).