N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C17H30N2 — CID 103276324

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC1=CC(C)CC(CNC2CCN3CCCCC23)C1
InChIInChI=1S/C17H30N2/c1-13-9-14(2)11-15(10-13)12-18-16-6-8-19-7-4-3-5-17(16)19/h9,13,15-18H,3-8,10-12H2,1-2H3
InChIKeyYPLBKEKKVCZBIT-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.20
Rot. Bonds3

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 103276324) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID103276324
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC1=CC(C)CC(CNC2CCN3CCCCC23)C1
InChIInChI=1S/C17H30N2/c1-13-9-14(2)11-15(10-13)12-18-16-6-8-19-7-4-3-5-17(16)19/h9,13,15-18H,3-8,10-12H2,1-2H3
InChIKeyYPLBKEKKVCZBIT-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.20
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

2-Fluoro-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 118448242
(6S)-2-fluoro-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 139453699
7-propan-2-yl-2,3,3a,4,5,7a-hexahydro-1H-isoindol-4-amine
CID 18926382
1-cyclohexyl-N-[(4-methylcyclohex-3-en-1-yl)methyl]pyrrolidin-3-amine
CID 69626913
4-Cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine
CID 71098641
2-[(E)-1-(4-methylcyclohexyl)-3-pyrrolidin-1-ylprop-1-enyl]piperidine
CID 118372877
2-Butyl-5-(2-methylcyclohept-3-en-1-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 123216341
2,4,5-trimethyl-N-[5-methyl-4-(4-methylcyclohexen-1-yl)hexyl]pyrrolidin-3-amine
CID 139418261
ethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen
CID 142067930
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
1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane
CID 143703481
(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-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 103276324) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CC1=CC(C)CC(CNC2CCN3CCCCC23)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is YPLBKEKKVCZBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13-9-14(2)11-15(10-13)12-18-16-6-8-19-7-4-3-5-17(16)19/h9,13,15-18H,3-8,10-12H2,1-2H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 103276324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).