1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine

C13H26N2O — CID 65047874

IUPAC1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine
SMILESCOCC(NC1CCN(C2CC2)C1)C(C)C
InChIInChI=1S/C13H26N2O/c1-10(2)13(9-16-3)14-11-6-7-15(8-11)12-4-5-12/h10-14H,4-9H2,1-3H3
InChIKeyIJLHWUCOTSKXGE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.48
Rot. Bonds6

About 1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine

1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine (PubChem CID 65047874) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine
PubChem CID65047874
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine
SMILESCOCC(NC1CCN(C2CC2)C1)C(C)C
InChIInChI=1S/C13H26N2O/c1-10(2)13(9-16-3)14-11-6-7-15(8-11)12-4-5-12/h10-14H,4-9H2,1-3H3
InChIKeyIJLHWUCOTSKXGE-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine (CID 65047874) is 1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine is COCC(NC1CCN(C2CC2)C1)C(C)C.
What is the InChIKey of 1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine?
The InChIKey is IJLHWUCOTSKXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)13(9-16-3)14-11-6-7-15(8-11)12-4-5-12/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine?
1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 65047874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).