N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine

C14H24N2O — CID 66226371

IUPACN-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1OCCC(C)(C)C
InChIInChI=1S/C14H24N2O/c1-5-15-11-12-7-6-9-16-13(12)17-10-8-14(2,3)4/h6-7,9,15H,5,8,10-11H2,1-4H3
InChIKeyPTXCSZXLZDKZMR-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.01
Rot. Bonds6

About N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine

N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 66226371) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID66226371
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1OCCC(C)(C)C
InChIInChI=1S/C14H24N2O/c1-5-15-11-12-7-6-9-16-13(12)17-10-8-14(2,3)4/h6-7,9,15H,5,8,10-11H2,1-4H3
InChIKeyPTXCSZXLZDKZMR-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-2-(3,3-dimethylbutoxy)pyridine
CID 66224234
N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine
CID 114470543
N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505728
N-[[2-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]ethanamine
CID 103405698
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82832365
N-[[2-(3,3-dimethylbutoxymethyl)phenyl]methyl]ethanamine
CID 66226641
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
N-[[2-(2-ethoxyethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62291566
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62289999
N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine (CID 66226371) is N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1OCCC(C)(C)C.
What is the InChIKey of N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is PTXCSZXLZDKZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-15-11-12-7-6-9-16-13(12)17-10-8-14(2,3)4/h6-7,9,15H,5,8,10-11H2,1-4H3.
What are the key properties of N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine?
N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 66226371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).