2-but-3-ynylcyclohexan-1-amine

C10H17N — CID 63644366

IUPAC2-but-3-ynylcyclohexan-1-amine
SMILESC#CCCC1CCCCC1N
InChIInChI=1S/C10H17N/c1-2-3-6-9-7-4-5-8-10(9)11/h1,9-10H,3-8,11H2
InChIKeyPPEYBOHLELVXFX-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.92
Rot. Bonds2

About 2-but-3-ynylcyclohexan-1-amine

2-but-3-ynylcyclohexan-1-amine (PubChem CID 63644366) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-but-3-ynylcyclohexan-1-amine.

Molecular Properties

Compound Name2-but-3-ynylcyclohexan-1-amine
PubChem CID63644366
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-but-3-ynylcyclohexan-1-amine
SMILESC#CCCC1CCCCC1N
InChIInChI=1S/C10H17N/c1-2-3-6-9-7-4-5-8-10(9)11/h1,9-10H,3-8,11H2
InChIKeyPPEYBOHLELVXFX-UHFFFAOYSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.92
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-but-3-ynylcyclohexan-1-amine?
The IUPAC name of 2-but-3-ynylcyclohexan-1-amine (CID 63644366) is 2-but-3-ynylcyclohexan-1-amine.
What is the SMILES notation for 2-but-3-ynylcyclohexan-1-amine?
The canonical SMILES for 2-but-3-ynylcyclohexan-1-amine is C#CCCC1CCCCC1N.
What is the InChIKey of 2-but-3-ynylcyclohexan-1-amine?
The InChIKey is PPEYBOHLELVXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-6-9-7-4-5-8-10(9)11/h1,9-10H,3-8,11H2.
What are the key properties of 2-but-3-ynylcyclohexan-1-amine?
2-but-3-ynylcyclohexan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynylcyclohexan-1-amine is sourced from PubChem (CID 63644366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).