1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine

C10H21NO — CID 155276622

IUPAC1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine
SMILESC=C(CC)OCC(NC)C(C)C
InChIInChI=1S/C10H21NO/c1-6-9(4)12-7-10(11-5)8(2)3/h8,10-11H,4,6-7H2,1-3,5H3
InChIKeyQGYBADBOCUMSMD-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.17
Rot. Bonds6

About 1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine

1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine (PubChem CID 155276622) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine
PubChem CID155276622
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine
SMILESC=C(CC)OCC(NC)C(C)C
InChIInChI=1S/C10H21NO/c1-6-9(4)12-7-10(11-5)8(2)3/h8,10-11H,4,6-7H2,1-3,5H3
InChIKeyQGYBADBOCUMSMD-UHFFFAOYSA-N
XLogP2.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine (CID 155276622) is 1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine is C=C(CC)OCC(NC)C(C)C.
What is the InChIKey of 1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine?
The InChIKey is QGYBADBOCUMSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-9(4)12-7-10(11-5)8(2)3/h8,10-11H,4,6-7H2,1-3,5H3.
What are the key properties of 1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine?
1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yloxy-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 155276622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).