N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine

C13H22N2O — CID 62292560

IUPACN-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine
SMILESCNCc1cccnc1OCCCC(C)C
InChIInChI=1S/C13H22N2O/c1-11(2)6-5-9-16-13-12(10-14-3)7-4-8-15-13/h4,7-8,11,14H,5-6,9-10H2,1-3H3
InChIKeyHMKMHGPATSNRGN-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds7

About N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine

N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine (PubChem CID 62292560) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine
PubChem CID62292560
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine
SMILESCNCc1cccnc1OCCCC(C)C
InChIInChI=1S/C13H22N2O/c1-11(2)6-5-9-16-13-12(10-14-3)7-4-8-15-13/h4,7-8,11,14H,5-6,9-10H2,1-3H3
InChIKeyHMKMHGPATSNRGN-UHFFFAOYSA-N
XLogP2.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
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-(4-methylpentoxy)-3-pyridinyl]methanamine
CID 28994806
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
CID 62292620
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
N,N-dimethyl-2-[[3-(methylaminomethyl)-2-pyridinyl]oxy]ethanamine
CID 62296479
N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777324
N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62288607
2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
CID 63488126
N-methyl-1-(2-phenoxy-3-pyridinyl)methanamine
CID 53185088
1-[2-[(2-bromophenyl)methoxy]-3-pyridinyl]-N-methylmethanamine
CID 82831764
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine
CID 62297762

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine (CID 62292560) is N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine is CNCc1cccnc1OCCCC(C)C.
What is the InChIKey of N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine?
The InChIKey is HMKMHGPATSNRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)6-5-9-16-13-12(10-14-3)7-4-8-15-13/h4,7-8,11,14H,5-6,9-10H2,1-3H3.
What are the key properties of N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine?
N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine has a molecular weight of 222.33 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 N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 62292560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).