1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine

C13H26N2 — CID 61470287

IUPAC1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine
SMILESCCC1CCCCC1N1CCC(NC)C1
InChIInChI=1S/C13H26N2/c1-3-11-6-4-5-7-13(11)15-9-8-12(10-15)14-2/h11-14H,3-10H2,1-2H3
InChIKeyQKJCGWPCLXIVPA-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds3

About 1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine

1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine (PubChem CID 61470287) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine
PubChem CID61470287
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine
SMILESCCC1CCCCC1N1CCC(NC)C1
InChIInChI=1S/C13H26N2/c1-3-11-6-4-5-7-13(11)15-9-8-12(10-15)14-2/h11-14H,3-10H2,1-2H3
InChIKeyQKJCGWPCLXIVPA-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine (CID 61470287) is 1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine is CCC1CCCCC1N1CCC(NC)C1.
What is the InChIKey of 1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine?
The InChIKey is QKJCGWPCLXIVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-11-6-4-5-7-13(11)15-9-8-12(10-15)14-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine?
1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 61470287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).