cyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine

C14H26N2 — CID 83221974

IUPACcyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine
SMILES[H]/N=C(\C1CCCCC1)N1C(C)CCC1CC
InChIInChI=1S/C14H26N2/c1-3-13-10-9-11(2)16(13)14(15)12-7-5-4-6-8-12/h11-13,15H,3-10H2,1-2H3/b15-14+
InChIKeyBUPYDZYMTWOTLM-CCEZHUSRSA-N
MW222.38 g/mol
LogP3.81
Rot. Bonds2

About cyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine

cyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine (PubChem CID 83221974) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is cyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine.

Molecular Properties

Compound Namecyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine
PubChem CID83221974
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Namecyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine
SMILES[H]/N=C(\C1CCCCC1)N1C(C)CCC1CC
InChIInChI=1S/C14H26N2/c1-3-13-10-9-11(2)16(13)14(15)12-7-5-4-6-8-12/h11-13,15H,3-10H2,1-2H3/b15-14+
InChIKeyBUPYDZYMTWOTLM-CCEZHUSRSA-N
XLogP3.81
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl-(2-ethylpiperidin-1-yl)methanimine
CID 63175453
azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83227277
(2-ethyl-5-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 115887042
N'-amino-2-ethyl-5-methylpyrrolidine-1-carboximidamide
CID 83219973
(2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83227366
cyclopropyl-(2-methylpiperidin-1-yl)methanimine
CID 63178526
(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131155812
2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 83220118
[4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol
CID 81212714
N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
CID 115888716
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83227103
2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol
CID 83220364

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine?
The IUPAC name of cyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine (CID 83221974) is cyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine.
What is the SMILES notation for cyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine?
The canonical SMILES for cyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine is [H]/N=C(\C1CCCCC1)N1C(C)CCC1CC.
What is the InChIKey of cyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine?
The InChIKey is BUPYDZYMTWOTLM-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-13-10-9-11(2)16(13)14(15)12-7-5-4-6-8-12/h11-13,15H,3-10H2,1-2H3/b15-14+.
What are the key properties of cyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine?
cyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine has a molecular weight of 222.38 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-ethyl-5-methylpyrrolidin-1-yl)methanimine is sourced from PubChem (CID 83221974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).