azane;3-(3,3-dimethylbutoxy)-4-methylpyridine

C12H22N2O — CID 175027935

IUPACazane;3-(3,3-dimethylbutoxy)-4-methylpyridine
SMILESCc1ccncc1OCCC(C)(C)C.N
InChIInChI=1S/C12H19NO.H3N/c1-10-5-7-13-9-11(10)14-8-6-12(2,3)4;/h5,7,9H,6,8H2,1-4H3;1H3
InChIKeyIVMPHZUUHDKCBL-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.37
Rot. Bonds3

About azane;3-(3,3-dimethylbutoxy)-4-methylpyridine

azane;3-(3,3-dimethylbutoxy)-4-methylpyridine (PubChem CID 175027935) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is azane;3-(3,3-dimethylbutoxy)-4-methylpyridine.

Molecular Properties

Compound Nameazane;3-(3,3-dimethylbutoxy)-4-methylpyridine
PubChem CID175027935
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameazane;3-(3,3-dimethylbutoxy)-4-methylpyridine
SMILESCc1ccncc1OCCC(C)(C)C.N
InChIInChI=1S/C12H19NO.H3N/c1-10-5-7-13-9-11(10)14-8-6-12(2,3)4;/h5,7,9H,6,8H2,1-4H3;1H3
InChIKeyIVMPHZUUHDKCBL-UHFFFAOYSA-N
XLogP3.37
TPSA57.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azane;3-[2-(furan-2-yl)ethoxy]-4-methylpyridine
CID 175485013
4-bromo-2-(3,3-dimethylbutoxy)-1-methylbenzene
CID 107283981
3-bromo-2-(3,3-dimethylbutoxy)-4-methylpyridine
CID 106878042
1-[(4-methyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine
CID 164888263
3-(3,3-dimethylbutoxy)pyridin-2-amine
CID 61481527
4-[[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methylcarbamoylamino]methyl]benzoic acid
CID 122014477
3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine
CID 175366959
4-(3-methoxy-3-methylbutoxy)pyridin-3-amine
CID 106664857
1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine
CID 106667450
N,4,4-trimethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 114878064
[4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol
CID 106666377
3-(3-cyano-3-methylbutoxy)pyridine-4-carboxylic acid
CID 81446577

Frequently Asked Questions

What is the IUPAC name of azane;3-(3,3-dimethylbutoxy)-4-methylpyridine?
The IUPAC name of azane;3-(3,3-dimethylbutoxy)-4-methylpyridine (CID 175027935) is azane;3-(3,3-dimethylbutoxy)-4-methylpyridine.
What is the SMILES notation for azane;3-(3,3-dimethylbutoxy)-4-methylpyridine?
The canonical SMILES for azane;3-(3,3-dimethylbutoxy)-4-methylpyridine is Cc1ccncc1OCCC(C)(C)C.N.
What is the InChIKey of azane;3-(3,3-dimethylbutoxy)-4-methylpyridine?
The InChIKey is IVMPHZUUHDKCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.H3N/c1-10-5-7-13-9-11(10)14-8-6-12(2,3)4;/h5,7,9H,6,8H2,1-4H3;1H3.
What are the key properties of azane;3-(3,3-dimethylbutoxy)-4-methylpyridine?
azane;3-(3,3-dimethylbutoxy)-4-methylpyridine has a molecular weight of 210.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(3,3-dimethylbutoxy)-4-methylpyridine is sourced from PubChem (CID 175027935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).