propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine

C26H52N4O — CID 160701150

IUPACpropan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
SMILESCC(C)C1CC1.CC(C)N1CCCC1.CC(C)N1CCOCC1.CC(C)n1ccnc1
InChIInChI=1S/C7H15NO.C7H15N.C6H10N2.C6H12/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-5(2)6-3-4-6/h7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-6H,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyRQQBECRTEAYWNH-UHFFFAOYSA-N
MW436.73 g/mol
LogP5.73
Rot. Bonds4

About propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine

propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine (PubChem CID 160701150) has the molecular formula C26H52N4O and a molecular weight of 436.73 g/mol. Its IUPAC name is propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Namepropan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
PubChem CID160701150
Molecular FormulaC26H52N4O
Molecular Weight436.73 g/mol
Exact Mass436.41
IUPAC Namepropan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
SMILESCC(C)C1CC1.CC(C)N1CCCC1.CC(C)N1CCOCC1.CC(C)n1ccnc1
InChIInChI=1S/C7H15NO.C7H15N.C6H10N2.C6H12/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-5(2)6-3-4-6/h7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-6H,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyRQQBECRTEAYWNH-UHFFFAOYSA-N
XLogP5.73
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.73
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR,7aS)-5-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97508589
4-[2-(Imidazol-1-ylmethyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 71873060
1-(1-cyclopropyl-1H-imidazol-2-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 91835973
3-[1-(2-Ethoxyethyl)imidazol-2-yl]-1-methylpiperidine
CID 54136684
(3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine
CID 57155907
(3S)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine
CID 57291172
4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine
CID 70307865
4-(3-Imidazol-1-ylhexan-3-yl)morpholine
CID 91479471
4-[(1R,3S)-3-(2-imidazol-1-ylethyl)-2,2-dimethyl-5-bicyclo[2.1.0]pentanyl]morpholine
CID 129015795
4-[2-(2-Butan-2-ylimidazol-1-yl)ethyl]morpholine
CID 129190893
4-(3-Imidazol-1-yl-3-methylbutyl)morpholine
CID 141123430
4-(Cyclopropylmethyl)-3-(imidazol-1-ylmethyl)morpholine
CID 141168862

Frequently Asked Questions

What is the IUPAC name of propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine?
The IUPAC name of propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine (CID 160701150) is propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine?
The canonical SMILES for propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine is CC(C)C1CC1.CC(C)N1CCCC1.CC(C)N1CCOCC1.CC(C)n1ccnc1.
What is the InChIKey of propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine?
The InChIKey is RQQBECRTEAYWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C7H15N.C6H10N2.C6H12/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-5(2)6-3-4-6/h7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-6H,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine?
propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine has a molecular weight of 436.73 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 160701150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).