N-ethynyl-N-methylpropan-1-amine

C6H11N — CID 123267453

IUPACN-ethynyl-N-methylpropan-1-amine
SMILESC#CN(C)CCC
InChIInChI=1S/C6H11N/c1-4-6-7(3)5-2/h2H,4,6H2,1,3H3
InChIKeyRCVYSKXLKREEMQ-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.92
Rot. Bonds2

About N-ethynyl-N-methylpropan-1-amine

N-ethynyl-N-methylpropan-1-amine (PubChem CID 123267453) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-ethynyl-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethynyl-N-methylpropan-1-amine
PubChem CID123267453
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-ethynyl-N-methylpropan-1-amine
SMILESC#CN(C)CCC
InChIInChI=1S/C6H11N/c1-4-6-7(3)5-2/h2H,4,6H2,1,3H3
InChIKeyRCVYSKXLKREEMQ-UHFFFAOYSA-N
XLogP0.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethynyl-N-methylpropan-1-amine?
The IUPAC name of N-ethynyl-N-methylpropan-1-amine (CID 123267453) is N-ethynyl-N-methylpropan-1-amine.
What is the SMILES notation for N-ethynyl-N-methylpropan-1-amine?
The canonical SMILES for N-ethynyl-N-methylpropan-1-amine is C#CN(C)CCC.
What is the InChIKey of N-ethynyl-N-methylpropan-1-amine?
The InChIKey is RCVYSKXLKREEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-4-6-7(3)5-2/h2H,4,6H2,1,3H3.
What are the key properties of N-ethynyl-N-methylpropan-1-amine?
N-ethynyl-N-methylpropan-1-amine has a molecular weight of 97.16 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethynyl-N-methylpropan-1-amine is sourced from PubChem (CID 123267453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).