[(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine

C20H35N — CID 143402229

IUPAC[(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine
SMILES[H]/N=C/[C@]1(C)CCCC(C)(C)C1CCC1CC(C)CC=C1C
InChIInChI=1S/C20H35N/c1-15-7-8-16(2)17(13-15)9-10-18-19(3,4)11-6-12-20(18,5)14-21/h8,14-15,17-18,21H,6-7,9-13H2,1-5H3/b21-14+/t15?,17?,18?,20-/m0/s1
InChIKeyLFXURFLZGRPGTG-GEUVVAQNSA-N
MW289.51 g/mol
LogP6.24
Rot. Bonds4

About [(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine

[(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine (PubChem CID 143402229) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is [(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine.

Molecular Properties

Compound Name[(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine
PubChem CID143402229
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name[(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine
SMILES[H]/N=C/[C@]1(C)CCCC(C)(C)C1CCC1CC(C)CC=C1C
InChIInChI=1S/C20H35N/c1-15-7-8-16(2)17(13-15)9-10-18-19(3,4)11-6-12-20(18,5)14-21/h8,14-15,17-18,21H,6-7,9-13H2,1-5H3/b21-14+/t15?,17?,18?,20-/m0/s1
InChIKeyLFXURFLZGRPGTG-GEUVVAQNSA-N
XLogP6.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine?
The IUPAC name of [(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine (CID 143402229) is [(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine.
What is the SMILES notation for [(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine?
The canonical SMILES for [(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine is [H]/N=C/[C@]1(C)CCCC(C)(C)C1CCC1CC(C)CC=C1C.
What is the InChIKey of [(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine?
The InChIKey is LFXURFLZGRPGTG-GEUVVAQNSA-N. The full InChI is InChI=1S/C20H35N/c1-15-7-8-16(2)17(13-15)9-10-18-19(3,4)11-6-12-20(18,5)14-21/h8,14-15,17-18,21H,6-7,9-13H2,1-5H3/b21-14+/t15?,17?,18?,20-/m0/s1.
What are the key properties of [(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine?
[(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine has a molecular weight of 289.51 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[2-(2,5-dimethylcyclohex-2-en-1-yl)ethyl]-1,3,3-trimethylcyclohexyl]methanimine is sourced from PubChem (CID 143402229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).