1,2-dibutylpyrazolidin-3-amine

C11H25N3 — CID 19603995

IUPAC1,2-dibutylpyrazolidin-3-amine
SMILESCCCCN1CCC(N)N1CCCC
InChIInChI=1S/C11H25N3/c1-3-5-8-13-10-7-11(12)14(13)9-6-4-2/h11H,3-10,12H2,1-2H3
InChIKeyQZXAZZGQIKOKMQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.79
Rot. Bonds6

About 1,2-dibutylpyrazolidin-3-amine

1,2-dibutylpyrazolidin-3-amine (PubChem CID 19603995) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1,2-dibutylpyrazolidin-3-amine.

Molecular Properties

Compound Name1,2-dibutylpyrazolidin-3-amine
PubChem CID19603995
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1,2-dibutylpyrazolidin-3-amine
SMILESCCCCN1CCC(N)N1CCCC
InChIInChI=1S/C11H25N3/c1-3-5-8-13-10-7-11(12)14(13)9-6-4-2/h11H,3-10,12H2,1-2H3
InChIKeyQZXAZZGQIKOKMQ-UHFFFAOYSA-N
XLogP1.79
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibutylpyrazolidin-3-amine?
The IUPAC name of 1,2-dibutylpyrazolidin-3-amine (CID 19603995) is 1,2-dibutylpyrazolidin-3-amine.
What is the SMILES notation for 1,2-dibutylpyrazolidin-3-amine?
The canonical SMILES for 1,2-dibutylpyrazolidin-3-amine is CCCCN1CCC(N)N1CCCC.
What is the InChIKey of 1,2-dibutylpyrazolidin-3-amine?
The InChIKey is QZXAZZGQIKOKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-3-5-8-13-10-7-11(12)14(13)9-6-4-2/h11H,3-10,12H2,1-2H3.
What are the key properties of 1,2-dibutylpyrazolidin-3-amine?
1,2-dibutylpyrazolidin-3-amine has a molecular weight of 199.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutylpyrazolidin-3-amine is sourced from PubChem (CID 19603995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).