2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine

C13H28N2 — CID 83144348

IUPAC2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine
SMILESCC(CNCC1(C)CCNC1)C(C)(C)C
InChIInChI=1S/C13H28N2/c1-11(12(2,3)4)8-15-10-13(5)6-7-14-9-13/h11,14-15H,6-10H2,1-5H3
InChIKeyCDRXQIJFLFZFEX-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.26
Rot. Bonds4

About 2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine

2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine (PubChem CID 83144348) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine
PubChem CID83144348
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine
SMILESCC(CNCC1(C)CCNC1)C(C)(C)C
InChIInChI=1S/C13H28N2/c1-11(12(2,3)4)8-15-10-13(5)6-7-14-9-13/h11,14-15H,6-10H2,1-5H3
InChIKeyCDRXQIJFLFZFEX-UHFFFAOYSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine (CID 83144348) is 2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine is CC(CNCC1(C)CCNC1)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine?
The InChIKey is CDRXQIJFLFZFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(12(2,3)4)8-15-10-13(5)6-7-14-9-13/h11,14-15H,6-10H2,1-5H3.
What are the key properties of 2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine?
2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 83144348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).