ethane;1-methylpyrazolidine

C6H16N2 — CID 91049753

IUPACethane;1-methylpyrazolidine
SMILESCC.CN1CCCN1
InChIInChI=1S/C4H10N2.C2H6/c1-6-4-2-3-5-6;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyJKCGZSFIFAVHRC-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.85
Rot. Bonds

About ethane;1-methylpyrazolidine

ethane;1-methylpyrazolidine (PubChem CID 91049753) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is ethane;1-methylpyrazolidine.

Molecular Properties

Compound Nameethane;1-methylpyrazolidine
PubChem CID91049753
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Nameethane;1-methylpyrazolidine
SMILESCC.CN1CCCN1
InChIInChI=1S/C4H10N2.C2H6/c1-6-4-2-3-5-6;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyJKCGZSFIFAVHRC-UHFFFAOYSA-N
XLogP0.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;1-methylpiperazine
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CID 153398628
1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine
CID 177092857
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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpyrazolidine?
The IUPAC name of ethane;1-methylpyrazolidine (CID 91049753) is ethane;1-methylpyrazolidine.
What is the SMILES notation for ethane;1-methylpyrazolidine?
The canonical SMILES for ethane;1-methylpyrazolidine is CC.CN1CCCN1.
What is the InChIKey of ethane;1-methylpyrazolidine?
The InChIKey is JKCGZSFIFAVHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2H6/c1-6-4-2-3-5-6;1-2/h5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;1-methylpyrazolidine?
ethane;1-methylpyrazolidine has a molecular weight of 116.21 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpyrazolidine is sourced from PubChem (CID 91049753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).