ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine

C28H63N3 — CID 142426509

IUPACethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine
SMILESCC.CC.CC.CC.CCC1C(C)CCCC1N(C)NC1CCN(C)C2CCCCC12
InChIInChI=1S/C20H39N3.4C2H6/c1-5-16-15(2)9-8-12-20(16)23(4)21-18-13-14-22(3)19-11-7-6-10-17(18)19;4*1-2/h15-21H,5-14H2,1-4H3;4*1-2H3
InChIKeyJNHCOEMCSSOFHH-UHFFFAOYSA-N
MW441.83 g/mol
LogP8.01
Rot. Bonds4

About ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine

ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine (PubChem CID 142426509) has the molecular formula C28H63N3 and a molecular weight of 441.83 g/mol. Its IUPAC name is ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine.

Molecular Properties

Compound Nameethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine
PubChem CID142426509
Molecular FormulaC28H63N3
Molecular Weight441.83 g/mol
Exact Mass441.50
IUPAC Nameethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine
SMILESCC.CC.CC.CC.CCC1C(C)CCCC1N(C)NC1CCN(C)C2CCCCC12
InChIInChI=1S/C20H39N3.4C2H6/c1-5-16-15(2)9-8-12-20(16)23(4)21-18-13-14-22(3)19-11-7-6-10-17(18)19;4*1-2/h15-21H,5-14H2,1-4H3;4*1-2H3
InChIKeyJNHCOEMCSSOFHH-UHFFFAOYSA-N
XLogP8.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.83
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine with MolForge

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Related Compounds

ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine
CID 142426443
1-methyl-2-(2-methylcyclooctyl)azocane
CID 90987666
N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide
CID 6558760
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine
CID 142426255
(4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol
CID 130891305
ethane;(2-ethyl-3-methylcyclohexyl)methanamine
CID 176567234
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
ethane;1-methyl-3,3a,4,5,6,7,8,8a-octahydro-2H-cyclohepta[b]pyrrole;octane
CID 143140739
1-ethyl-4-(1-methylpyrrolidin-2-yl)piperidine
CID 178005282

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine?
The IUPAC name of ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine (CID 142426509) is ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine.
What is the SMILES notation for ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine?
The canonical SMILES for ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine is CC.CC.CC.CC.CCC1C(C)CCCC1N(C)NC1CCN(C)C2CCCCC12.
What is the InChIKey of ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine?
The InChIKey is JNHCOEMCSSOFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3.4C2H6/c1-5-16-15(2)9-8-12-20(16)23(4)21-18-13-14-22(3)19-11-7-6-10-17(18)19;4*1-2/h15-21H,5-14H2,1-4H3;4*1-2H3.
What are the key properties of ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine?
ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine has a molecular weight of 441.83 g/mol, XLogP of 8.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine is sourced from PubChem (CID 142426509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).