5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine

C13H26N2O — CID 103532388

IUPAC5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(N2CCC(OC)C2)CCC1(C)C
InChIInChI=1S/C13H26N2O/c1-13(2)7-5-11(12(13)14-3)15-8-6-10(9-15)16-4/h10-12,14H,5-9H2,1-4H3
InChIKeySRHLUDNBRYYRQT-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.48
Rot. Bonds3

About 5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine

5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 103532388) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine
PubChem CID103532388
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(N2CCC(OC)C2)CCC1(C)C
InChIInChI=1S/C13H26N2O/c1-13(2)7-5-11(12(13)14-3)15-8-6-10(9-15)16-4/h10-12,14H,5-9H2,1-4H3
InChIKeySRHLUDNBRYYRQT-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine (CID 103532388) is 5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine is CNC1C(N2CCC(OC)C2)CCC1(C)C.
What is the InChIKey of 5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is SRHLUDNBRYYRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2)7-5-11(12(13)14-3)15-8-6-10(9-15)16-4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine?
5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 103532388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).