(2R)-2-cyclohexylbut-3-yn-2-amine

C10H17N — CID 143939589

IUPAC(2R)-2-cyclohexylbut-3-yn-2-amine
SMILESC#C[C@](C)(N)C1CCCCC1
InChIInChI=1S/C10H17N/c1-3-10(2,11)9-7-5-4-6-8-9/h1,9H,4-8,11H2,2H3/t10-/m0/s1
InChIKeySJJNPQDNGAJWNU-JTQLQIEISA-N
MW151.25 g/mol
LogP1.92
Rot. Bonds1

About (2R)-2-cyclohexylbut-3-yn-2-amine

(2R)-2-cyclohexylbut-3-yn-2-amine (PubChem CID 143939589) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2R)-2-cyclohexylbut-3-yn-2-amine.

Molecular Properties

Compound Name(2R)-2-cyclohexylbut-3-yn-2-amine
PubChem CID143939589
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2R)-2-cyclohexylbut-3-yn-2-amine
SMILESC#C[C@](C)(N)C1CCCCC1
InChIInChI=1S/C10H17N/c1-3-10(2,11)9-7-5-4-6-8-9/h1,9H,4-8,11H2,2H3/t10-/m0/s1
InChIKeySJJNPQDNGAJWNU-JTQLQIEISA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 (2R)-2-cyclohexylbut-3-yn-2-amine?
The IUPAC name of (2R)-2-cyclohexylbut-3-yn-2-amine (CID 143939589) is (2R)-2-cyclohexylbut-3-yn-2-amine.
What is the SMILES notation for (2R)-2-cyclohexylbut-3-yn-2-amine?
The canonical SMILES for (2R)-2-cyclohexylbut-3-yn-2-amine is C#C[C@](C)(N)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexylbut-3-yn-2-amine?
The InChIKey is SJJNPQDNGAJWNU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17N/c1-3-10(2,11)9-7-5-4-6-8-9/h1,9H,4-8,11H2,2H3/t10-/m0/s1.
What are the key properties of (2R)-2-cyclohexylbut-3-yn-2-amine?
(2R)-2-cyclohexylbut-3-yn-2-amine has a molecular weight of 151.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexylbut-3-yn-2-amine is sourced from PubChem (CID 143939589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).