5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine

C13H28N2O — CID 103391948

IUPAC5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine
SMILESCOCC(CCCN)N1CCCC1C(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)13-7-5-9-15(13)12(10-16-3)6-4-8-14/h11-13H,4-10,14H2,1-3H3
InChIKeyNARNOVUGMQKBIF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds7

About 5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine

5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine (PubChem CID 103391948) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine
PubChem CID103391948
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine
SMILESCOCC(CCCN)N1CCCC1C(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)13-7-5-9-15(13)12(10-16-3)6-4-8-14/h11-13H,4-10,14H2,1-3H3
InChIKeyNARNOVUGMQKBIF-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine?
The IUPAC name of 5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine (CID 103391948) is 5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine.
What is the SMILES notation for 5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine?
The canonical SMILES for 5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine is COCC(CCCN)N1CCCC1C(C)C.
What is the InChIKey of 5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine?
The InChIKey is NARNOVUGMQKBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)13-7-5-9-15(13)12(10-16-3)6-4-8-14/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine?
5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-propan-2-ylpyrrolidin-1-yl)pentan-1-amine is sourced from PubChem (CID 103391948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).