3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine

C11H18N2O — CID 117242309

IUPAC3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
SMILESCC(C)(C)C(N)COc1cccnc1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10(12)8-14-9-5-4-6-13-7-9/h4-7,10H,8,12H2,1-3H3
InChIKeyKZEOXGIUNOMFFQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.83
Rot. Bonds3

About 3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine

3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine (PubChem CID 117242309) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
PubChem CID117242309
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
SMILESCC(C)(C)C(N)COc1cccnc1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10(12)8-14-9-5-4-6-13-7-9/h4-7,10H,8,12H2,1-3H3
InChIKeyKZEOXGIUNOMFFQ-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-3-yloxypentan-2-amine
CID 117241763
1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine
CID 43351797
3,3-dimethyl-1-(3-methylphenoxy)butan-2-amine
CID 16795067
4-methoxy-1-pyridin-3-yloxybutan-2-amine
CID 117236788
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
4-(2-amino-3,3-dimethylbutoxy)phenol
CID 117242306
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine
CID 117243775
2-(pyridin-3-yloxymethyl)pentan-1-amine
CID 117241997
3-(2-bromopropan-2-yloxy)pyridine
CID 174735285
1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine
CID 117242787
2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine
CID 117238951

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine?
The IUPAC name of 3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine (CID 117242309) is 3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine is CC(C)(C)C(N)COc1cccnc1.
What is the InChIKey of 3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine?
The InChIKey is KZEOXGIUNOMFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)10(12)8-14-9-5-4-6-13-7-9/h4-7,10H,8,12H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine?
3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine has a molecular weight of 194.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine is sourced from PubChem (CID 117242309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).