2-ethynyl-N-propan-2-ylcyclohexan-1-amine

C11H19N — CID 58866363

IUPAC2-ethynyl-N-propan-2-ylcyclohexan-1-amine
SMILESC#CC1CCCCC1NC(C)C
InChIInChI=1S/C11H19N/c1-4-10-7-5-6-8-11(10)12-9(2)3/h1,9-12H,5-8H2,2-3H3
InChIKeyQJXFTYNLCRZARQ-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.18
Rot. Bonds2

About 2-ethynyl-N-propan-2-ylcyclohexan-1-amine

2-ethynyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 58866363) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-ethynyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-ethynyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID58866363
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-ethynyl-N-propan-2-ylcyclohexan-1-amine
SMILESC#CC1CCCCC1NC(C)C
InChIInChI=1S/C11H19N/c1-4-10-7-5-6-8-11(10)12-9(2)3/h1,9-12H,5-8H2,2-3H3
InChIKeyQJXFTYNLCRZARQ-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-ethynyl-N-propan-2-ylcyclohexan-1-amine (CID 58866363) is 2-ethynyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-ethynyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-ethynyl-N-propan-2-ylcyclohexan-1-amine is C#CC1CCCCC1NC(C)C.
What is the InChIKey of 2-ethynyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is QJXFTYNLCRZARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-10-7-5-6-8-11(10)12-9(2)3/h1,9-12H,5-8H2,2-3H3.
What are the key properties of 2-ethynyl-N-propan-2-ylcyclohexan-1-amine?
2-ethynyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 58866363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).