(3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine

C13H26N2O — CID 158366104

IUPAC(3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine
SMILESCC(C)(C)N[C@@]1(C2CCOCC2)CCNC1
InChIInChI=1S/C13H26N2O/c1-12(2,3)15-13(6-7-14-10-13)11-4-8-16-9-5-11/h11,14-15H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyIOJJJJJRSIKLIG-ZDUSSCGKSA-N
MW226.36 g/mol
LogP1.53
Rot. Bonds2

About (3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine

(3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine (PubChem CID 158366104) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine
PubChem CID158366104
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine
SMILESCC(C)(C)N[C@@]1(C2CCOCC2)CCNC1
InChIInChI=1S/C13H26N2O/c1-12(2,3)15-13(6-7-14-10-13)11-4-8-16-9-5-11/h11,14-15H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyIOJJJJJRSIKLIG-ZDUSSCGKSA-N
XLogP1.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine (CID 158366104) is (3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine is CC(C)(C)N[C@@]1(C2CCOCC2)CCNC1.
What is the InChIKey of (3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine?
The InChIKey is IOJJJJJRSIKLIG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2,3)15-13(6-7-14-10-13)11-4-8-16-9-5-11/h11,14-15H,4-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine?
(3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-tert-butyl-3-(oxan-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 158366104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).