3-(3,3-dimethylbutoxy)pyridin-2-amine

C11H18N2O — CID 61481527

IUPAC3-(3,3-dimethylbutoxy)pyridin-2-amine
SMILESCC(C)(C)CCOc1cccnc1N
InChIInChI=1S/C11H18N2O/c1-11(2,3)6-8-14-9-5-4-7-13-10(9)12/h4-5,7H,6,8H2,1-3H3,(H2,12,13)
InChIKeyLGBMKCBYDDPRFT-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.48
Rot. Bonds3

About 3-(3,3-dimethylbutoxy)pyridin-2-amine

3-(3,3-dimethylbutoxy)pyridin-2-amine (PubChem CID 61481527) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxy)pyridin-2-amine.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxy)pyridin-2-amine
PubChem CID61481527
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(3,3-dimethylbutoxy)pyridin-2-amine
SMILESCC(C)(C)CCOc1cccnc1N
InChIInChI=1S/C11H18N2O/c1-11(2,3)6-8-14-9-5-4-7-13-10(9)12/h4-5,7H,6,8H2,1-3H3,(H2,12,13)
InChIKeyLGBMKCBYDDPRFT-UHFFFAOYSA-N
XLogP2.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylpropan-2-yl)oxymethoxy]pyridin-2-amine
CID 20765509
3-(2-ethoxyethoxy)pyridin-2-amine
CID 43457018
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
5-(3,3-dimethylbutoxy)quinolin-8-amine
CID 66233789
2-amino-3-(3,3-dimethylbutoxy)phenol
CID 114764205
5-[(2-amino-3-pyridinyl)oxy]pentan-1-ol
CID 62229508
3-(2-pyrazol-1-ylethoxy)pyridin-2-amine
CID 61491639
3-(1,1-difluoroethoxy)pyridin-2-amine
CID 55297452
1-bromo-2-(3,3-dimethylbutoxy)benzene
CID 63530273
ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate
CID 18796228
3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine
CID 82055961
1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine
CID 61481627

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxy)pyridin-2-amine?
The IUPAC name of 3-(3,3-dimethylbutoxy)pyridin-2-amine (CID 61481527) is 3-(3,3-dimethylbutoxy)pyridin-2-amine.
What is the SMILES notation for 3-(3,3-dimethylbutoxy)pyridin-2-amine?
The canonical SMILES for 3-(3,3-dimethylbutoxy)pyridin-2-amine is CC(C)(C)CCOc1cccnc1N.
What is the InChIKey of 3-(3,3-dimethylbutoxy)pyridin-2-amine?
The InChIKey is LGBMKCBYDDPRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)6-8-14-9-5-4-7-13-10(9)12/h4-5,7H,6,8H2,1-3H3,(H2,12,13).
What are the key properties of 3-(3,3-dimethylbutoxy)pyridin-2-amine?
3-(3,3-dimethylbutoxy)pyridin-2-amine has a molecular weight of 194.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxy)pyridin-2-amine is sourced from PubChem (CID 61481527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).