N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C12H20N2 — CID 62311545

IUPACN-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC#CCNC1CCN2CCCCC12
InChIInChI=1S/C12H20N2/c1-2-3-8-13-11-7-10-14-9-5-4-6-12(11)14/h11-13H,4-10H2,1H3
InChIKeyWCFMAOOBSSVTKJ-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.23
Rot. Bonds2

About N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 62311545) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID62311545
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC#CCNC1CCN2CCCCC12
InChIInChI=1S/C12H20N2/c1-2-3-8-13-11-7-10-14-9-5-4-6-12(11)14/h11-13H,4-10H2,1H3
InChIKeyWCFMAOOBSSVTKJ-UHFFFAOYSA-N
XLogP1.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-but-2-ynyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62311737
N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
CID 63466183
N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 114515203
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide
CID 106333825
N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 104574898
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2,2-dimethylhexanenitrile
CID 106709210
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzonitrile
CID 43694345
N-[(2-methyloxolan-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 114104968
N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853529
3-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]-1,1-dimethylurea
CID 83117106
N-[(4-tert-butylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694267
N-[2-(azepan-1-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853999

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 62311545) is N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CC#CCNC1CCN2CCCCC12.
What is the InChIKey of N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is WCFMAOOBSSVTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-3-8-13-11-7-10-14-9-5-4-6-12(11)14/h11-13H,4-10H2,1H3.
What are the key properties of N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 192.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 62311545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).