N-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine

C11H17N — CID 134299771

IUPACN-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine
SMILESC#CC(C)NCC1CC2(CC2)C1
InChIInChI=1S/C11H17N/c1-3-9(2)12-8-10-6-11(7-10)4-5-11/h1,9-10,12H,4-8H2,2H3
InChIKeyPROKDHGAEPNVNA-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.79
Rot. Bonds3

About N-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine

N-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine (PubChem CID 134299771) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine.

Molecular Properties

Compound NameN-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine
PubChem CID134299771
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine
SMILESC#CC(C)NCC1CC2(CC2)C1
InChIInChI=1S/C11H17N/c1-3-9(2)12-8-10-6-11(7-10)4-5-11/h1,9-10,12H,4-8H2,2H3
InChIKeyPROKDHGAEPNVNA-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.79
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 N-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine?
The IUPAC name of N-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine (CID 134299771) is N-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine.
What is the SMILES notation for N-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine?
The canonical SMILES for N-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine is C#CC(C)NCC1CC2(CC2)C1.
What is the InChIKey of N-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine?
The InChIKey is PROKDHGAEPNVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-9(2)12-8-10-6-11(7-10)4-5-11/h1,9-10,12H,4-8H2,2H3.
What are the key properties of N-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine?
N-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine has a molecular weight of 163.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(spiro[2.3]hexan-5-ylmethyl)but-3-yn-2-amine is sourced from PubChem (CID 134299771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).