N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine

C12H20N2O — CID 62292620

IUPACN-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
SMILESCCCCCOc1ncccc1CNC
InChIInChI=1S/C12H20N2O/c1-3-4-5-9-15-12-11(10-13-2)7-6-8-14-12/h6-8,13H,3-5,9-10H2,1-2H3
InChIKeyJFMGQFATAOOBQE-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.37
Rot. Bonds7

About N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine

N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine (PubChem CID 62292620) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
PubChem CID62292620
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
SMILESCCCCCOc1ncccc1CNC
InChIInChI=1S/C12H20N2O/c1-3-4-5-9-15-12-11(10-13-2)7-6-8-14-12/h6-8,13H,3-5,9-10H2,1-2H3
InChIKeyJFMGQFATAOOBQE-UHFFFAOYSA-N
XLogP2.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.37
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-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine
CID 62292560
N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292572
2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
CID 63488126
N,N-dimethyl-2-[[3-(methylaminomethyl)-2-pyridinyl]oxy]ethanamine
CID 62296479
1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine
CID 105390952
2,3-didecoxypyridine
CID 151922374
N-methyl-1-(2-phenoxy-3-pyridinyl)methanamine
CID 53185088
1-[2-[(2-bromophenyl)methoxy]-3-pyridinyl]-N-methylmethanamine
CID 82831764
2-hexoxypyridine-3-carbonitrile
CID 29001326
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
1-[(2-butoxy-3-pyridinyl)methyl]-3-butyl-2-methylguanidine
CID 111150836

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine?
The IUPAC name of N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine (CID 62292620) is N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine is CCCCCOc1ncccc1CNC.
What is the InChIKey of N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine?
The InChIKey is JFMGQFATAOOBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-5-9-15-12-11(10-13-2)7-6-8-14-12/h6-8,13H,3-5,9-10H2,1-2H3.
What are the key properties of N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine?
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine has a molecular weight of 208.30 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 62292620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).