2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine

C25H46N2 — CID 91325695

IUPAC2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine
SMILESCCCCC1NC(C)C(C)N1CC1CCCC(C2=CCCCC2CC)CC1
InChIInChI=1S/C25H46N2/c1-5-7-15-25-26-19(3)20(4)27(25)18-21-11-10-13-23(17-16-21)24-14-9-8-12-22(24)6-2/h14,19-23,25-26H,5-13,15-18H2,1-4H3
InChIKeyXPCBMCMQQADGOE-UHFFFAOYSA-N
MW374.66 g/mol
LogP6.52
Rot. Bonds7

About 2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine

2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine (PubChem CID 91325695) has the molecular formula C25H46N2 and a molecular weight of 374.66 g/mol. Its IUPAC name is 2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine.

Molecular Properties

Compound Name2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine
PubChem CID91325695
Molecular FormulaC25H46N2
Molecular Weight374.66 g/mol
Exact Mass374.37
IUPAC Name2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine
SMILESCCCCC1NC(C)C(C)N1CC1CCCC(C2=CCCCC2CC)CC1
InChIInChI=1S/C25H46N2/c1-5-7-15-25-26-19(3)20(4)27(25)18-21-11-10-13-23(17-16-21)24-14-9-8-12-22(24)6-2/h14,19-23,25-26H,5-13,15-18H2,1-4H3
InChIKeyXPCBMCMQQADGOE-UHFFFAOYSA-N
XLogP6.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.66
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine?
The IUPAC name of 2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine (CID 91325695) is 2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine.
What is the SMILES notation for 2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine?
The canonical SMILES for 2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine is CCCCC1NC(C)C(C)N1CC1CCCC(C2=CCCCC2CC)CC1.
What is the InChIKey of 2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine?
The InChIKey is XPCBMCMQQADGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2/c1-5-7-15-25-26-19(3)20(4)27(25)18-21-11-10-13-23(17-16-21)24-14-9-8-12-22(24)6-2/h14,19-23,25-26H,5-13,15-18H2,1-4H3.
What are the key properties of 2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine?
2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine has a molecular weight of 374.66 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[[4-(6-ethylcyclohexen-1-yl)cycloheptyl]methyl]-4,5-dimethylimidazolidine is sourced from PubChem (CID 91325695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).