1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine

C53H104N8O — CID 167707679

IUPAC1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine
SMILESCC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1.CC(C)C1COC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)c1ccccn1.CC(C)c1nccn1C
InChIInChI=1S/C9H19N.C8H18N2.C8H17N.C8H11N.C7H12N2.C7H15N.C6H12O/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-8(3)5-7;1-5(2)6-3-7-4-6/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;3-7H,1-2H3;4-6H,1-3H3;6-7H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyZIRNACJZUPTDRL-UHFFFAOYSA-N
MW869.47 g/mol
LogP10.75
Rot. Bonds7

About 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine

1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine (PubChem CID 167707679) has the molecular formula C53H104N8O and a molecular weight of 869.47 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine
PubChem CID167707679
Molecular FormulaC53H104N8O
Molecular Weight869.47 g/mol
Exact Mass868.83
IUPAC Name1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine
SMILESCC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1.CC(C)C1COC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)c1ccccn1.CC(C)c1nccn1C
InChIInChI=1S/C9H19N.C8H18N2.C8H17N.C8H11N.C7H12N2.C7H15N.C6H12O/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-8(3)5-7;1-5(2)6-3-7-4-6/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;3-7H,1-2H3;4-6H,1-3H3;6-7H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyZIRNACJZUPTDRL-UHFFFAOYSA-N
XLogP10.75
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.47
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

1-methylpiperidine;2-propan-2-ylpyridine
CID 156652028
(1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride
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(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
1-methyl-N-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 62132755
1-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 61461637
(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol
CID 133384569
1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine
CID 12063609
2-[(1S)-1-cyclohexylethyl]pyridine
CID 130409266
chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride
CID 159092633
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
CID 158245312
1,4-dimethyl-2-propan-2-ylpiperazine;ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-2-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-2-propan-2-ylpiperidine);1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-ylimidazole;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1H-pyrazin-2-one;5-propan-2-yl-1H-pyrazin-2-one;6-propan-2-yl-1H-pyrazin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 161372680
2-[1-(oxan-4-yl)ethyl]pyridine
CID 171432124

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine?
The IUPAC name of 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine (CID 167707679) is 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine.
What is the SMILES notation for 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine?
The canonical SMILES for 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine is CC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1.CC(C)C1COC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)c1ccccn1.CC(C)c1nccn1C.
What is the InChIKey of 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine?
The InChIKey is ZIRNACJZUPTDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H18N2.C8H17N.C8H11N.C7H12N2.C7H15N.C6H12O/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-8(3)5-7;1-5(2)6-3-7-4-6/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;3-7H,1-2H3;4-6H,1-3H3;6-7H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine?
1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine has a molecular weight of 869.47 g/mol, XLogP of 10.75, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine is sourced from PubChem (CID 167707679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).