[2-(4-methylpentoxy)-3-pyridinyl]methanamine

C12H20N2O — CID 28994806

IUPAC[2-(4-methylpentoxy)-3-pyridinyl]methanamine
SMILESCC(C)CCCOc1ncccc1CN
InChIInChI=1S/C12H20N2O/c1-10(2)5-4-8-15-12-11(9-13)6-3-7-14-12/h3,6-7,10H,4-5,8-9,13H2,1-2H3
InChIKeyBPTHDTQXWUUSMY-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.36
Rot. Bonds6

About [2-(4-methylpentoxy)-3-pyridinyl]methanamine

[2-(4-methylpentoxy)-3-pyridinyl]methanamine (PubChem CID 28994806) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is [2-(4-methylpentoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-methylpentoxy)-3-pyridinyl]methanamine
PubChem CID28994806
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name[2-(4-methylpentoxy)-3-pyridinyl]methanamine
SMILESCC(C)CCCOc1ncccc1CN
InChIInChI=1S/C12H20N2O/c1-10(2)5-4-8-15-12-11(9-13)6-3-7-14-12/h3,6-7,10H,4-5,8-9,13H2,1-2H3
InChIKeyBPTHDTQXWUUSMY-UHFFFAOYSA-N
XLogP2.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.36
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

N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine
CID 62292560
[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777326
(2-but-3-enoxy-3-pyridinyl)methanamine
CID 62289505
(2-methoxy-3-pyridinyl)methanamine;hydrochloride
CID 71627038
2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290152
2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290330
2-chloro-3-(4-methylpentoxymethyl)pyridine
CID 62471573
[2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine
CID 107752122
2-chloro-3-(4-methylpentoxy)pyridine
CID 83157028
3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448463
4-methylpentyl 2-chloropyridine-3-carboxylate
CID 63841332
[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828202

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpentoxy)-3-pyridinyl]methanamine?
The IUPAC name of [2-(4-methylpentoxy)-3-pyridinyl]methanamine (CID 28994806) is [2-(4-methylpentoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-methylpentoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(4-methylpentoxy)-3-pyridinyl]methanamine is CC(C)CCCOc1ncccc1CN.
What is the InChIKey of [2-(4-methylpentoxy)-3-pyridinyl]methanamine?
The InChIKey is BPTHDTQXWUUSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)5-4-8-15-12-11(9-13)6-3-7-14-12/h3,6-7,10H,4-5,8-9,13H2,1-2H3.
What are the key properties of [2-(4-methylpentoxy)-3-pyridinyl]methanamine?
[2-(4-methylpentoxy)-3-pyridinyl]methanamine has a molecular weight of 208.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpentoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 28994806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).