3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane

C11H20N2 — CID 167466651

IUPAC3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane
SMILESCC.NC#CCN1CC2(CCC2)C1
InChIInChI=1S/C9H14N2.C2H6/c10-5-2-6-11-7-9(8-11)3-1-4-9;1-2/h1,3-4,6-8,10H2;1-2H3
InChIKeyLZBFRAXLQBHSSY-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.42
Rot. Bonds1

About 3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane

3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane (PubChem CID 167466651) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane.

Molecular Properties

Compound Name3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane
PubChem CID167466651
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane
SMILESCC.NC#CCN1CC2(CCC2)C1
InChIInChI=1S/C9H14N2.C2H6/c10-5-2-6-11-7-9(8-11)3-1-4-9;1-2/h1,3-4,6-8,10H2;1-2H3
InChIKeyLZBFRAXLQBHSSY-UHFFFAOYSA-N
XLogP1.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-azaspiro[3.3]heptane
CID 130337259
2-(2-azaspiro[3.3]heptan-2-yl)ethanamine
CID 55289039
1-(2-azaspiro[3.3]heptan-2-yl)propan-2-amine
CID 79678743
2-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
CID 90140966
2-(2-methylpropyl)-2-azaspiro[3.3]heptane
CID 118300646
ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane
CID 156860387
1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine
CID 79678512
3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol
CID 104550414
3-(2-azaspiro[3.3]heptan-2-ylmethyl)pentan-3-amine
CID 115306385
2-butyl-2-azaspiro[3.3]heptane
CID 170365296
2-methyl-2-azaspiro[3.3]heptane
CID 22975634
2-azaspiro[3.3]heptan-2-amine
CID 83091709

Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane?
The IUPAC name of 3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane (CID 167466651) is 3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane.
What is the SMILES notation for 3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane?
The canonical SMILES for 3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane is CC.NC#CCN1CC2(CCC2)C1.
What is the InChIKey of 3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane?
The InChIKey is LZBFRAXLQBHSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c10-5-2-6-11-7-9(8-11)3-1-4-9;1-2/h1,3-4,6-8,10H2;1-2H3.
What are the key properties of 3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane?
3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane has a molecular weight of 180.29 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane is sourced from PubChem (CID 167466651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).