1-tert-butylpyrrolidine-3,4-diamine

C8H19N3 — CID 89335821

IUPAC1-tert-butylpyrrolidine-3,4-diamine
SMILESCC(C)(C)N1CC(N)C(N)C1
InChIInChI=1S/C8H19N3/c1-8(2,3)11-4-6(9)7(10)5-11/h6-7H,4-5,9-10H2,1-3H3
InChIKeyUSGWFJUQZBWPKR-UHFFFAOYSA-N
MW157.26 g/mol
LogP-0.24
Rot. Bonds

About 1-tert-butylpyrrolidine-3,4-diamine

1-tert-butylpyrrolidine-3,4-diamine (PubChem CID 89335821) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-tert-butylpyrrolidine-3,4-diamine.

Molecular Properties

Compound Name1-tert-butylpyrrolidine-3,4-diamine
PubChem CID89335821
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name1-tert-butylpyrrolidine-3,4-diamine
SMILESCC(C)(C)N1CC(N)C(N)C1
InChIInChI=1S/C8H19N3/c1-8(2,3)11-4-6(9)7(10)5-11/h6-7H,4-5,9-10H2,1-3H3
InChIKeyUSGWFJUQZBWPKR-UHFFFAOYSA-N
XLogP-0.24
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrrolidine-3,4-diamine?
The IUPAC name of 1-tert-butylpyrrolidine-3,4-diamine (CID 89335821) is 1-tert-butylpyrrolidine-3,4-diamine.
What is the SMILES notation for 1-tert-butylpyrrolidine-3,4-diamine?
The canonical SMILES for 1-tert-butylpyrrolidine-3,4-diamine is CC(C)(C)N1CC(N)C(N)C1.
What is the InChIKey of 1-tert-butylpyrrolidine-3,4-diamine?
The InChIKey is USGWFJUQZBWPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-8(2,3)11-4-6(9)7(10)5-11/h6-7H,4-5,9-10H2,1-3H3.
What are the key properties of 1-tert-butylpyrrolidine-3,4-diamine?
1-tert-butylpyrrolidine-3,4-diamine has a molecular weight of 157.26 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrrolidine-3,4-diamine is sourced from PubChem (CID 89335821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).