1,2-dimethylpyrazolidin-3-amine

C5H13N3 — CID 19604047

IUPAC1,2-dimethylpyrazolidin-3-amine
SMILESCN1CCC(N)N1C
InChIInChI=1S/C5H13N3/c1-7-4-3-5(6)8(7)2/h5H,3-4,6H2,1-2H3
InChIKeyCMKAAASKNUGHSC-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.55
Rot. Bonds

About 1,2-dimethylpyrazolidin-3-amine

1,2-dimethylpyrazolidin-3-amine (PubChem CID 19604047) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 1,2-dimethylpyrazolidin-3-amine.

Molecular Properties

Compound Name1,2-dimethylpyrazolidin-3-amine
PubChem CID19604047
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name1,2-dimethylpyrazolidin-3-amine
SMILESCN1CCC(N)N1C
InChIInChI=1S/C5H13N3/c1-7-4-3-5(6)8(7)2/h5H,3-4,6H2,1-2H3
InChIKeyCMKAAASKNUGHSC-UHFFFAOYSA-N
XLogP-0.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrazolidin-3-amine?
The IUPAC name of 1,2-dimethylpyrazolidin-3-amine (CID 19604047) is 1,2-dimethylpyrazolidin-3-amine.
What is the SMILES notation for 1,2-dimethylpyrazolidin-3-amine?
The canonical SMILES for 1,2-dimethylpyrazolidin-3-amine is CN1CCC(N)N1C.
What is the InChIKey of 1,2-dimethylpyrazolidin-3-amine?
The InChIKey is CMKAAASKNUGHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-7-4-3-5(6)8(7)2/h5H,3-4,6H2,1-2H3.
What are the key properties of 1,2-dimethylpyrazolidin-3-amine?
1,2-dimethylpyrazolidin-3-amine has a molecular weight of 115.18 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrazolidin-3-amine is sourced from PubChem (CID 19604047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).