1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine

C12H22N2 — CID 79871416

IUPAC1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C1CCCCC1(C)C
InChIInChI=1S/C12H22N2/c1-12(2)8-4-3-6-10(12)14-9-5-7-11(14)13/h10,13H,3-9H2,1-2H3/b13-11+
InChIKeyWAAVROCYBDDXRM-ACCUITESSA-N
MW194.32 g/mol
LogP3.03
Rot. Bonds1

About 1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine

1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine (PubChem CID 79871416) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine
PubChem CID79871416
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C1CCCCC1(C)C
InChIInChI=1S/C12H22N2/c1-12(2)8-4-3-6-10(12)14-9-5-7-11(14)13/h10,13H,3-9H2,1-2H3/b13-11+
InChIKeyWAAVROCYBDDXRM-ACCUITESSA-N
XLogP3.03
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentylpyrrolidin-2-imine
CID 43121965
3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one
CID 79877891
1-(3,3,5,5-tetramethylcyclohexyl)piperidin-2-imine
CID 113359705
5-(2-iminopyrrolidin-1-yl)piperidin-2-one
CID 63661241
1-(2,2-dimethylcyclohexyl)pyrrolidin-3-one
CID 79871529
1-(3-methylcyclopentyl)piperidin-2-imine
CID 114547607
1-(3,5-dimethylcyclohexyl)piperidin-2-imine
CID 64734642
1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine
CID 107853052
1-(1-propylpyrrolidin-3-yl)pyrrolidin-2-imine
CID 131113544
1-(2,2-dimethylcyclopentyl)-3-(propan-2-ylamino)piperidin-2-one
CID 79877894
1-(5-methylthiolan-3-yl)pyrrolidin-2-imine
CID 131000652
11-(2,2-dimethylcyclopentyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 79872046

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine (CID 79871416) is 1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine?
The InChIKey is WAAVROCYBDDXRM-ACCUITESSA-N. The full InChI is InChI=1S/C12H22N2/c1-12(2)8-4-3-6-10(12)14-9-5-7-11(14)13/h10,13H,3-9H2,1-2H3/b13-11+.
What are the key properties of 1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine?
1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine has a molecular weight of 194.32 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine is sourced from PubChem (CID 79871416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).