2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine

C22H35N — CID 156524860

IUPAC2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine
SMILES[H]/N=C/C(CC1C2=C(CCC=C2)C(CC)C1CC)C1CCCCC1
InChIInChI=1S/C22H35N/c1-3-18-19(4-2)22(21-13-9-8-12-20(18)21)14-17(15-23)16-10-6-5-7-11-16/h9,13,15-19,22-23H,3-8,10-12,14H2,1-2H3/b23-15+
InChIKeyLLMCDDRCMWERMC-HZHRSRAPSA-N
MW313.53 g/mol
LogP6.55
Rot. Bonds6

About 2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine

2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine (PubChem CID 156524860) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is 2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine.

Molecular Properties

Compound Name2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine
PubChem CID156524860
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine
SMILES[H]/N=C/C(CC1C2=C(CCC=C2)C(CC)C1CC)C1CCCCC1
InChIInChI=1S/C22H35N/c1-3-18-19(4-2)22(21-13-9-8-12-20(18)21)14-17(15-23)16-10-6-5-7-11-16/h9,13,15-19,22-23H,3-8,10-12,14H2,1-2H3/b23-15+
InChIKeyLLMCDDRCMWERMC-HZHRSRAPSA-N
XLogP6.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine?
The IUPAC name of 2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine (CID 156524860) is 2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine.
What is the SMILES notation for 2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine?
The canonical SMILES for 2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine is [H]/N=C/C(CC1C2=C(CCC=C2)C(CC)C1CC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine?
The InChIKey is LLMCDDRCMWERMC-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H35N/c1-3-18-19(4-2)22(21-13-9-8-12-20(18)21)14-17(15-23)16-10-6-5-7-11-16/h9,13,15-19,22-23H,3-8,10-12,14H2,1-2H3/b23-15+.
What are the key properties of 2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine?
2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine has a molecular weight of 313.53 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine is sourced from PubChem (CID 156524860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).