N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide

C12H21N3 — CID 63177285

IUPACN'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide
SMILESN/C(=N\C1CCN2CCCCC12)C1CC1
InChIInChI=1S/C12H21N3/c13-12(9-4-5-9)14-10-6-8-15-7-2-1-3-11(10)15/h9-11H,1-8H2,(H2,13,14)
InChIKeyUBJPBHPMHHQJBH-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.38
Rot. Bonds2

About N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide

N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide (PubChem CID 63177285) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide
PubChem CID63177285
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide
SMILESN/C(=N\C1CCN2CCCCC12)C1CC1
InChIInChI=1S/C12H21N3/c13-12(9-4-5-9)14-10-6-8-15-7-2-1-3-11(10)15/h9-11H,1-8H2,(H2,13,14)
InChIKeyUBJPBHPMHHQJBH-UHFFFAOYSA-N
XLogP1.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine
CID 62483334
N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide
CID 63173030
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine
CID 62369893
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057
N'-(2-methylcyclopropyl)cyclohexanecarboximidamide
CID 63178369
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045
1-amino-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-phenylguanidine
CID 116514258
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide
CID 82853124
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)oxyacetamide
CID 112672836

Frequently Asked Questions

What is the IUPAC name of N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide?
The IUPAC name of N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide (CID 63177285) is N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide is N/C(=N\C1CCN2CCCCC12)C1CC1.
What is the InChIKey of N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide?
The InChIKey is UBJPBHPMHHQJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c13-12(9-4-5-9)14-10-6-8-15-7-2-1-3-11(10)15/h9-11H,1-8H2,(H2,13,14).
What are the key properties of N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide?
N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide has a molecular weight of 207.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide is sourced from PubChem (CID 63177285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).