1-cyclohexyl-N-methylprop-2-yn-1-imine

C10H15N — CID 143348323

IUPAC1-cyclohexyl-N-methylprop-2-yn-1-imine
SMILESC#C/C(=N\C)C1CCCCC1
InChIInChI=1S/C10H15N/c1-3-10(11-2)9-7-5-4-6-8-9/h1,9H,4-8H2,2H3/b11-10+
InChIKeyYVFAQVFMTVUOJD-ZHACJKMWSA-N
MW149.24 g/mol
LogP2.27
Rot. Bonds1

About 1-cyclohexyl-N-methylprop-2-yn-1-imine

1-cyclohexyl-N-methylprop-2-yn-1-imine (PubChem CID 143348323) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-cyclohexyl-N-methylprop-2-yn-1-imine.

Molecular Properties

Compound Name1-cyclohexyl-N-methylprop-2-yn-1-imine
PubChem CID143348323
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-cyclohexyl-N-methylprop-2-yn-1-imine
SMILESC#C/C(=N\C)C1CCCCC1
InChIInChI=1S/C10H15N/c1-3-10(11-2)9-7-5-4-6-8-9/h1,9H,4-8H2,2H3/b11-10+
InChIKeyYVFAQVFMTVUOJD-ZHACJKMWSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methylprop-2-yn-1-imine?
The IUPAC name of 1-cyclohexyl-N-methylprop-2-yn-1-imine (CID 143348323) is 1-cyclohexyl-N-methylprop-2-yn-1-imine.
What is the SMILES notation for 1-cyclohexyl-N-methylprop-2-yn-1-imine?
The canonical SMILES for 1-cyclohexyl-N-methylprop-2-yn-1-imine is C#C/C(=N\C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methylprop-2-yn-1-imine?
The InChIKey is YVFAQVFMTVUOJD-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15N/c1-3-10(11-2)9-7-5-4-6-8-9/h1,9H,4-8H2,2H3/b11-10+.
What are the key properties of 1-cyclohexyl-N-methylprop-2-yn-1-imine?
1-cyclohexyl-N-methylprop-2-yn-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methylprop-2-yn-1-imine is sourced from PubChem (CID 143348323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).