[1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine

C16H32N2 — CID 83226884

IUPAC[1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine
SMILESCCC1CCC(C)N1C1(CN)CCC(C)C(C)C1
InChIInChI=1S/C16H32N2/c1-5-15-7-6-14(4)18(15)16(11-17)9-8-12(2)13(3)10-16/h12-15H,5-11,17H2,1-4H3
InChIKeyFORCPQVGTLCDIJ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds3

About [1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine

[1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine (PubChem CID 83226884) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine
PubChem CID83226884
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine
SMILESCCC1CCC(C)N1C1(CN)CCC(C)C(C)C1
InChIInChI=1S/C16H32N2/c1-5-15-7-6-14(4)18(15)16(11-17)9-8-12(2)13(3)10-16/h12-15H,5-11,17H2,1-4H3
InChIKeyFORCPQVGTLCDIJ-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine (CID 83226884) is [1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine is CCC1CCC(C)N1C1(CN)CCC(C)C(C)C1.
What is the InChIKey of [1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine?
The InChIKey is FORCPQVGTLCDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-15-7-6-14(4)18(15)16(11-17)9-8-12(2)13(3)10-16/h12-15H,5-11,17H2,1-4H3.
What are the key properties of [1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine?
[1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 83226884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).