1-butyl-2,3-dimethylimidazolidine;hydrochloride

C9H21ClN2 — CID 174751170

IUPAC1-butyl-2,3-dimethylimidazolidine;hydrochloride
SMILESCCCCN1CCN(C)C1C.Cl
InChIInChI=1S/C9H20N2.ClH/c1-4-5-6-11-8-7-10(3)9(11)2;/h9H,4-8H2,1-3H3;1H
InChIKeyBVRFPJMWSQWCBN-UHFFFAOYSA-N
MW192.73 g/mol
LogP1.80
Rot. Bonds3

About 1-butyl-2,3-dimethylimidazolidine;hydrochloride

1-butyl-2,3-dimethylimidazolidine;hydrochloride (PubChem CID 174751170) has the molecular formula C9H21ClN2 and a molecular weight of 192.73 g/mol. Its IUPAC name is 1-butyl-2,3-dimethylimidazolidine;hydrochloride.

Molecular Properties

Compound Name1-butyl-2,3-dimethylimidazolidine;hydrochloride
PubChem CID174751170
Molecular FormulaC9H21ClN2
Molecular Weight192.73 g/mol
Exact Mass192.14
IUPAC Name1-butyl-2,3-dimethylimidazolidine;hydrochloride
SMILESCCCCN1CCN(C)C1C.Cl
InChIInChI=1S/C9H20N2.ClH/c1-4-5-6-11-8-7-10(3)9(11)2;/h9H,4-8H2,1-3H3;1H
InChIKeyBVRFPJMWSQWCBN-UHFFFAOYSA-N
XLogP1.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3-dimethylimidazolidine;hydrochloride?
The IUPAC name of 1-butyl-2,3-dimethylimidazolidine;hydrochloride (CID 174751170) is 1-butyl-2,3-dimethylimidazolidine;hydrochloride.
What is the SMILES notation for 1-butyl-2,3-dimethylimidazolidine;hydrochloride?
The canonical SMILES for 1-butyl-2,3-dimethylimidazolidine;hydrochloride is CCCCN1CCN(C)C1C.Cl.
What is the InChIKey of 1-butyl-2,3-dimethylimidazolidine;hydrochloride?
The InChIKey is BVRFPJMWSQWCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.ClH/c1-4-5-6-11-8-7-10(3)9(11)2;/h9H,4-8H2,1-3H3;1H.
What are the key properties of 1-butyl-2,3-dimethylimidazolidine;hydrochloride?
1-butyl-2,3-dimethylimidazolidine;hydrochloride has a molecular weight of 192.73 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3-dimethylimidazolidine;hydrochloride is sourced from PubChem (CID 174751170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).