1-(2-cyclohexylethyl)pyrrolidin-2-imine

C12H22N2 — CID 60920084

IUPAC1-(2-cyclohexylethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCC1CCCCC1
InChIInChI=1S/C12H22N2/c13-12-7-4-9-14(12)10-8-11-5-2-1-3-6-11/h11,13H,1-10H2/b13-12+
InChIKeyJXKFFBUHNFRKGE-OUKQBFOZSA-N
MW194.32 g/mol
LogP3.03
Rot. Bonds3

About 1-(2-cyclohexylethyl)pyrrolidin-2-imine

1-(2-cyclohexylethyl)pyrrolidin-2-imine (PubChem CID 60920084) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)pyrrolidin-2-imine
PubChem CID60920084
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(2-cyclohexylethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCC1CCCCC1
InChIInChI=1S/C12H22N2/c13-12-7-4-9-14(12)10-8-11-5-2-1-3-6-11/h11,13H,1-10H2/b13-12+
InChIKeyJXKFFBUHNFRKGE-OUKQBFOZSA-N
XLogP3.03
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-(cycloheptylmethyl)pyrrolidin-2-imine
CID 131007201
1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine
CID 62640522
1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine
CID 43121926
N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine
CID 62978160
1-(2-methylsulfanylethyl)pyrrolidin-2-imine
CID 63966554
1-(2-cyclohexylethyl)-3,4-dihydro-2H-quinoline
CID 154337689
1-[(3-methylcyclopentyl)methyl]pyrrolidin-2-imine
CID 107413702
1-[2-(1,2,4-triazol-4-yl)ethyl]pyrrolidin-2-imine
CID 130993322
3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
CID 43121970
1-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-2-imine
CID 60856218
1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine
CID 103007506
1-cyclopentylpyrrolidin-2-imine
CID 43121965

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)pyrrolidin-2-imine?
The IUPAC name of 1-(2-cyclohexylethyl)pyrrolidin-2-imine (CID 60920084) is 1-(2-cyclohexylethyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(2-cyclohexylethyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(2-cyclohexylethyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)pyrrolidin-2-imine?
The InChIKey is JXKFFBUHNFRKGE-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H22N2/c13-12-7-4-9-14(12)10-8-11-5-2-1-3-6-11/h11,13H,1-10H2/b13-12+.
What are the key properties of 1-(2-cyclohexylethyl)pyrrolidin-2-imine?
1-(2-cyclohexylethyl)pyrrolidin-2-imine has a molecular weight of 194.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)pyrrolidin-2-imine is sourced from PubChem (CID 60920084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).