N-ethynyl-N-methylcyclohexanamine

C9H15N — CID 69362530

IUPACN-ethynyl-N-methylcyclohexanamine
SMILESC#CN(C)C1CCCCC1
InChIInChI=1S/C9H15N/c1-3-10(2)9-7-5-4-6-8-9/h1,9H,4-8H2,2H3
InChIKeyMDRGPKTXZLPLNS-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.84
Rot. Bonds1

About N-ethynyl-N-methylcyclohexanamine

N-ethynyl-N-methylcyclohexanamine (PubChem CID 69362530) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-ethynyl-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-ethynyl-N-methylcyclohexanamine
PubChem CID69362530
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-ethynyl-N-methylcyclohexanamine
SMILESC#CN(C)C1CCCCC1
InChIInChI=1S/C9H15N/c1-3-10(2)9-7-5-4-6-8-9/h1,9H,4-8H2,2H3
InChIKeyMDRGPKTXZLPLNS-UHFFFAOYSA-N
XLogP1.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.84
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-methylcyclohexanamine?
The IUPAC name of N-ethynyl-N-methylcyclohexanamine (CID 69362530) is N-ethynyl-N-methylcyclohexanamine.
What is the SMILES notation for N-ethynyl-N-methylcyclohexanamine?
The canonical SMILES for N-ethynyl-N-methylcyclohexanamine is C#CN(C)C1CCCCC1.
What is the InChIKey of N-ethynyl-N-methylcyclohexanamine?
The InChIKey is MDRGPKTXZLPLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-10(2)9-7-5-4-6-8-9/h1,9H,4-8H2,2H3.
What are the key properties of N-ethynyl-N-methylcyclohexanamine?
N-ethynyl-N-methylcyclohexanamine has a molecular weight of 137.23 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethynyl-N-methylcyclohexanamine is sourced from PubChem (CID 69362530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).