N-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C15H26N2 — CID 43694230

IUPACN-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESC1=CCC(CNC2CCN3CCCCC23)CC1
InChIInChI=1S/C15H26N2/c1-2-6-13(7-3-1)12-16-14-9-11-17-10-5-4-8-15(14)17/h1-2,13-16H,3-12H2
InChIKeyRXHMJFJFODGSOB-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.56
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 43694230) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID43694230
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESC1=CCC(CNC2CCN3CCCCC23)CC1
InChIInChI=1S/C15H26N2/c1-2-6-13(7-3-1)12-16-14-9-11-17-10-5-4-8-15(14)17/h1-2,13-16H,3-12H2
InChIKeyRXHMJFJFODGSOB-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(4aR,9bR)-2,3,4,4a,5,5a,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 70617087
4-Cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine
CID 71098641
1-(1,2a,5,6,6a,7-Hexahydroazirino[1,2-a]indol-7a-yl)ethanamine
CID 87858451
2,3,3a,4,5,7a-hexahydro-1H-isoindol-1-ylmethanamine
CID 89096307
2-Butyl-5-(2-methylcyclohept-3-en-1-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 123216341
6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 123425964
(3R)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-amine
CID 142326124
(4aS,7aS)-6-(cyclohepta-1,3,6-trien-1-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;molecular hydrogen
CID 142841328
N'-[[1-(2,3,4,4b,5,6,8a,9-octahydro-1H-pyrido[3,4-b]indol-3-ylmethyl)piperidin-3-yl]methyl]propane-1,3-diamine
CID 143113694
(4aS)-6-(cyclohexa-1,5-dien-1-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;ethane
CID 143874803

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 43694230) is N-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is C1=CCC(CNC2CCN3CCCCC23)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is RXHMJFJFODGSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-6-13(7-3-1)12-16-14-9-11-17-10-5-4-8-15(14)17/h1-2,13-16H,3-12H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 234.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 43694230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).