(4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine

C12H26N2 — CID 134572937

IUPAC(4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine
SMILESCCN1C[C@H](C)N(C(C)C)C1C(C)C
InChIInChI=1S/C12H26N2/c1-7-13-8-11(6)14(10(4)5)12(13)9(2)3/h9-12H,7-8H2,1-6H3/t11-,12?/m0/s1
InChIKeyDQOVQMDYAJWUTF-PXYINDEMSA-N
MW198.35 g/mol
LogP2.40
Rot. Bonds3

About (4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine

(4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine (PubChem CID 134572937) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine.

Molecular Properties

Compound Name(4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine
PubChem CID134572937
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine
SMILESCCN1C[C@H](C)N(C(C)C)C1C(C)C
InChIInChI=1S/C12H26N2/c1-7-13-8-11(6)14(10(4)5)12(13)9(2)3/h9-12H,7-8H2,1-6H3/t11-,12?/m0/s1
InChIKeyDQOVQMDYAJWUTF-PXYINDEMSA-N
XLogP2.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6R)-4-ethyl-2,6-dimethyl-1-propan-2-ylpiperazine
CID 135218538
1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone
CID 134573108
ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine
CID 171506336
(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160
(2R,5S)-1-ethyl-4-[(E)-4-[(2S,5S)-4-ethyl-2,5-dimethylpiperazin-1-yl]but-2-enyl]-2,5-dimethylpiperazine
CID 124731738
2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane
CID 170634147
3-tert-butyl-1-ethyl-2,4-dimethylimidazolidine
CID 151626328
4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane
CID 126543354
1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone
CID 163675775
1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine
CID 130727541
(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol
CID 124524922
(2R,6R)-2,6-dimethyl-1-propan-2-ylpiperidine
CID 130875650

Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine?
The IUPAC name of (4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine (CID 134572937) is (4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine.
What is the SMILES notation for (4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine?
The canonical SMILES for (4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine is CCN1C[C@H](C)N(C(C)C)C1C(C)C.
What is the InChIKey of (4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine?
The InChIKey is DQOVQMDYAJWUTF-PXYINDEMSA-N. The full InChI is InChI=1S/C12H26N2/c1-7-13-8-11(6)14(10(4)5)12(13)9(2)3/h9-12H,7-8H2,1-6H3/t11-,12?/m0/s1.
What are the key properties of (4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine?
(4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine has a molecular weight of 198.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine is sourced from PubChem (CID 134572937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).