1,3-dibutyl-2-methylimidazolidine

C12H26N2 — CID 121008486

IUPAC1,3-dibutyl-2-methylimidazolidine
SMILESCCCCN1CCN(CCCC)C1C
InChIInChI=1S/C12H26N2/c1-4-6-8-13-10-11-14(12(13)3)9-7-5-2/h12H,4-11H2,1-3H3
InChIKeyBDJOCPATPXWPAP-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.55
Rot. Bonds6

About 1,3-dibutyl-2-methylimidazolidine

1,3-dibutyl-2-methylimidazolidine (PubChem CID 121008486) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1,3-dibutyl-2-methylimidazolidine.

Molecular Properties

Compound Name1,3-dibutyl-2-methylimidazolidine
PubChem CID121008486
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1,3-dibutyl-2-methylimidazolidine
SMILESCCCCN1CCN(CCCC)C1C
InChIInChI=1S/C12H26N2/c1-4-6-8-13-10-11-14(12(13)3)9-7-5-2/h12H,4-11H2,1-3H3
InChIKeyBDJOCPATPXWPAP-UHFFFAOYSA-N
XLogP2.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dibutyl-2-propyl-imidazolidine
CID 52814
2-Imidazolidinethione, 1,3-dibutyl-
CID 35527
Imidazolidine, 1,3-dimethyl-2-ethyl-
CID 39039
2-Imidazolidinethione, 1,3-dipropyl-
CID 54962
N,N-Dimethyl-2-(pyrrolidin-1-yl)ethan-1-amine
CID 23423571
Imidazolidine, 1,2,2,3-tetramethyl-
CID 141835
1,3-Diethylimidazolidine
CID 581242
Dipropylimidazolidin
CID 4520938
2-Imidazolidinylidene, 1,3-bis(1,1-dimethylethyl)-
CID 12161416
N-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine
CID 135012454
1,3-diethyl-N,N-dimethylimidazolidin-2-amine
CID 10702323
1-Methyl-3-octylimidazoline
CID 17936850

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-2-methylimidazolidine?
The IUPAC name of 1,3-dibutyl-2-methylimidazolidine (CID 121008486) is 1,3-dibutyl-2-methylimidazolidine.
What is the SMILES notation for 1,3-dibutyl-2-methylimidazolidine?
The canonical SMILES for 1,3-dibutyl-2-methylimidazolidine is CCCCN1CCN(CCCC)C1C.
What is the InChIKey of 1,3-dibutyl-2-methylimidazolidine?
The InChIKey is BDJOCPATPXWPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-6-8-13-10-11-14(12(13)3)9-7-5-2/h12H,4-11H2,1-3H3.
What are the key properties of 1,3-dibutyl-2-methylimidazolidine?
1,3-dibutyl-2-methylimidazolidine has a molecular weight of 198.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-2-methylimidazolidine is sourced from PubChem (CID 121008486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).