3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol

C10H19N3O2 — CID 106146861

IUPAC3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol
SMILESCc1nonc1CNCC(C)(C)CCO
InChIInChI=1S/C10H19N3O2/c1-8-9(13-15-12-8)6-11-7-10(2,3)4-5-14/h11,14H,4-7H2,1-3H3
InChIKeyXDRCMEHDJSFWEH-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.88
Rot. Bonds6

About 3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol

3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol (PubChem CID 106146861) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol
PubChem CID106146861
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol
SMILESCc1nonc1CNCC(C)(C)CCO
InChIInChI=1S/C10H19N3O2/c1-8-9(13-15-12-8)6-11-7-10(2,3)4-5-14/h11,14H,4-7H2,1-3H3
InChIKeyXDRCMEHDJSFWEH-UHFFFAOYSA-N
XLogP0.88
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol
CID 65111649
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 111470652
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 5200352
3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 66170575
3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol
CID 103708150
[1-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]cyclopentyl]methanol
CID 115359447
5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol
CID 106131592
2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol
CID 103708054
1-methoxy-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine
CID 115747917
3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol
CID 111470754
5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-3-methylfuran-2-carboxylic acid
CID 106149092
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 104879273

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol (CID 106146861) is 3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol is Cc1nonc1CNCC(C)(C)CCO.
What is the InChIKey of 3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol?
The InChIKey is XDRCMEHDJSFWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8-9(13-15-12-8)6-11-7-10(2,3)4-5-14/h11,14H,4-7H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol?
3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol has a molecular weight of 213.28 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 106146861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).