N-but-2-ynyl-3-methoxy-3-methylbutan-1-amine

C10H19NO — CID 103033584

IUPACN-but-2-ynyl-3-methoxy-3-methylbutan-1-amine
SMILESCC#CCNCCC(C)(C)OC
InChIInChI=1S/C10H19NO/c1-5-6-8-11-9-7-10(2,3)12-4/h11H,7-9H2,1-4H3
InChIKeyIJRRFSJUVZYJNR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds5

About N-but-2-ynyl-3-methoxy-3-methylbutan-1-amine

N-but-2-ynyl-3-methoxy-3-methylbutan-1-amine (PubChem CID 103033584) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-but-2-ynyl-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-but-2-ynyl-3-methoxy-3-methylbutan-1-amine
PubChem CID103033584
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-but-2-ynyl-3-methoxy-3-methylbutan-1-amine
SMILESCC#CCNCCC(C)(C)OC
InChIInChI=1S/C10H19NO/c1-5-6-8-11-9-7-10(2,3)12-4/h11H,7-9H2,1-4H3
InChIKeyIJRRFSJUVZYJNR-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-but-2-ynyl-3-methoxy-3-methylbutan-1-amine (CID 103033584) is N-but-2-ynyl-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-but-2-ynyl-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-but-2-ynyl-3-methoxy-3-methylbutan-1-amine is CC#CCNCCC(C)(C)OC.
What is the InChIKey of N-but-2-ynyl-3-methoxy-3-methylbutan-1-amine?
The InChIKey is IJRRFSJUVZYJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-8-11-9-7-10(2,3)12-4/h11H,7-9H2,1-4H3.
What are the key properties of N-but-2-ynyl-3-methoxy-3-methylbutan-1-amine?
N-but-2-ynyl-3-methoxy-3-methylbutan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103033584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).