[1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine

C17H34N2 — CID 83228059

IUPAC[1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine
SMILESCCC1CCC(C)N1C1(CN)CCCCC1C(C)C
InChIInChI=1S/C17H34N2/c1-5-15-10-9-14(4)19(15)17(12-18)11-7-6-8-16(17)13(2)3/h13-16H,5-12,18H2,1-4H3
InChIKeyFJBUYWWWGXHZSV-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.79
Rot. Bonds4

About [1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine

[1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine (PubChem CID 83228059) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine
PubChem CID83228059
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine
SMILESCCC1CCC(C)N1C1(CN)CCCCC1C(C)C
InChIInChI=1S/C17H34N2/c1-5-15-10-9-14(4)19(15)17(12-18)11-7-6-8-16(17)13(2)3/h13-16H,5-12,18H2,1-4H3
InChIKeyFJBUYWWWGXHZSV-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.79
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)-2-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine (CID 83228059) is [1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine is CCC1CCC(C)N1C1(CN)CCCCC1C(C)C.
What is the InChIKey of [1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine?
The InChIKey is FJBUYWWWGXHZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-15-10-9-14(4)19(15)17(12-18)11-7-6-8-16(17)13(2)3/h13-16H,5-12,18H2,1-4H3.
What are the key properties of [1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine?
[1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.79, 4 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)-2-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 83228059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).