2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine

C14H24N2O — CID 66227318

IUPAC2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCC(C)(C)CCOCCNCc1cccnc1
InChIInChI=1S/C14H24N2O/c1-14(2,3)6-9-17-10-8-16-12-13-5-4-7-15-11-13/h4-5,7,11,16H,6,8-10,12H2,1-3H3
InChIKeyHNECJKDONLNRRD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.62
Rot. Bonds7

About 2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine

2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 66227318) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID66227318
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCC(C)(C)CCOCCNCc1cccnc1
InChIInChI=1S/C14H24N2O/c1-14(2,3)6-9-17-10-8-16-12-13-5-4-7-15-11-13/h4-5,7,11,16H,6,8-10,12H2,1-3H3
InChIKeyHNECJKDONLNRRD-UHFFFAOYSA-N
XLogP2.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.62
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

2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604
3-(3,3-dimethylbutoxymethyl)pyridine
CID 154991745
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 62598715
4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride
CID 115584514
2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 60684620
N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine
CID 63262836
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol
CID 111470754
N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine
CID 54956617
2-(pyridin-3-ylmethylamino)ethyl 2-(4-chlorophenyl)-2-methylpropanoate;hydrochloride
CID 21126731

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine (CID 66227318) is 2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine is CC(C)(C)CCOCCNCc1cccnc1.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is HNECJKDONLNRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,3)6-9-17-10-8-16-12-13-5-4-7-15-11-13/h4-5,7,11,16H,6,8-10,12H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine?
2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 66227318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).