N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine

C12H20N2O — CID 106452631

IUPACN-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine
SMILESCCCOCCNCc1ccncc1C
InChIInChI=1S/C12H20N2O/c1-3-7-15-8-6-14-10-12-4-5-13-9-11(12)2/h4-5,9,14H,3,6-8,10H2,1-2H3
InChIKeyCNONWONJHAVACB-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.91
Rot. Bonds7

About N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine

N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine (PubChem CID 106452631) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine
PubChem CID106452631
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine
SMILESCCCOCCNCc1ccncc1C
InChIInChI=1S/C12H20N2O/c1-3-7-15-8-6-14-10-12-4-5-13-9-11(12)2/h4-5,9,14H,3,6-8,10H2,1-2H3
InChIKeyCNONWONJHAVACB-UHFFFAOYSA-N
XLogP1.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.91
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-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114699562
N-[(3-methyl-4-pyridinyl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 114699646
(E)-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]but-2-en-1-amine
CID 114699496
2-butoxy-N-(isoquinolin-5-ylmethyl)ethanamine
CID 62824958
2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114699579
N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075013
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
N-[(2-bromophenyl)methyl]-2-propoxyethanamine
CID 106451772
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine
CID 106451723
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114699523
1-(4-methylpentoxy)-3-[(3-methyl-4-pyridinyl)methylamino]propan-2-ol
CID 114699671

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine (CID 106452631) is N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine is CCCOCCNCc1ccncc1C.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine?
The InChIKey is CNONWONJHAVACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-7-15-8-6-14-10-12-4-5-13-9-11(12)2/h4-5,9,14H,3,6-8,10H2,1-2H3.
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine?
N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine is sourced from PubChem (CID 106452631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).