N,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine

C12H27N3 — CID 81469259

IUPACN,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine
SMILESCCC(CNC)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H27N3/c1-6-11(7-13-3)15-8-10(2)12(9-15)14(4)5/h10-13H,6-9H2,1-5H3
InChIKeyBCZAFJMXOKISQS-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.87
Rot. Bonds5

About N,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine (PubChem CID 81469259) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine
PubChem CID81469259
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine
SMILESCCC(CNC)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H27N3/c1-6-11(7-13-3)15-8-10(2)12(9-15)14(4)5/h10-13H,6-9H2,1-5H3
InChIKeyBCZAFJMXOKISQS-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine (CID 81469259) is N,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine is CCC(CNC)N1CC(C)C(N(C)C)C1.
What is the InChIKey of N,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine?
The InChIKey is BCZAFJMXOKISQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-6-11(7-13-3)15-8-10(2)12(9-15)14(4)5/h10-13H,6-9H2,1-5H3.
What are the key properties of N,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine has a molecular weight of 213.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[1-(methylamino)butan-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 81469259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).