3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine

C14H24N2O — CID 66224548

IUPAC3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine
SMILESCCNc1ncccc1COCCC(C)(C)C
InChIInChI=1S/C14H24N2O/c1-5-15-13-12(7-6-9-16-13)11-17-10-8-14(2,3)4/h6-7,9H,5,8,10-11H2,1-4H3,(H,15,16)
InChIKeyZQBQQCMPQOTITH-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.47
Rot. Bonds6

About 3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine

3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine (PubChem CID 66224548) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine
PubChem CID66224548
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine
SMILESCCNc1ncccc1COCCC(C)(C)C
InChIInChI=1S/C14H24N2O/c1-5-15-13-12(7-6-9-16-13)11-17-10-8-14(2,3)4/h6-7,9H,5,8,10-11H2,1-4H3,(H,15,16)
InChIKeyZQBQQCMPQOTITH-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine
CID 82831980
N-ethyl-3-[(2-propoxyphenoxy)methyl]pyridin-2-amine
CID 62465153
N-[[2-(3,3-dimethylbutoxymethyl)phenyl]methyl]ethanamine
CID 66226641
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
3-(1-ethoxypropan-2-yloxymethyl)-N-ethylpyridin-2-amine
CID 103490226
N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine
CID 66226371
3-[3-(2-methoxyethoxy)propoxymethyl]-N-propylpyridin-2-amine
CID 103405422
N-ethyl-3-(ethylsulfanylmethyl)pyridin-2-amine
CID 62466764
3-(diethylaminomethyl)-N-ethylpyridin-2-amine
CID 62471645
2-[4-[[2-(ethylamino)-3-pyridinyl]methoxy]phenyl]acetonitrile
CID 62464232
3-(chloromethyl)-2-(3,3-dimethylbutoxy)pyridine
CID 66224234
3-[(2-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 62465145

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine?
The IUPAC name of 3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine (CID 66224548) is 3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine is CCNc1ncccc1COCCC(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine?
The InChIKey is ZQBQQCMPQOTITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-15-13-12(7-6-9-16-13)11-17-10-8-14(2,3)4/h6-7,9H,5,8,10-11H2,1-4H3,(H,15,16).
What are the key properties of 3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine?
3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine has a molecular weight of 236.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 66224548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).