N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine

C16H21N3O — CID 105175626

IUPACN-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2cccnc2C)c1
InChIInChI=1S/C16H21N3O/c1-4-8-20-14-9-13(10-18-11-14)16(17-3)15-6-5-7-19-12(15)2/h5-7,9-11,16-17H,4,8H2,1-3H3
InChIKeyCNMCULWFNYFSJQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.88
Rot. Bonds6

About N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine

N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine (PubChem CID 105175626) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine
PubChem CID105175626
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2cccnc2C)c1
InChIInChI=1S/C16H21N3O/c1-4-8-20-14-9-13(10-18-11-14)16(17-3)15-6-5-7-19-12(15)2/h5-7,9-11,16-17H,4,8H2,1-3H3
InChIKeyCNMCULWFNYFSJQ-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026800
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-methyl-3-pyridinyl)methanamine
CID 105173794
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 82732602
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026815
1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026983
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026807
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
N-[(2-methyl-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105173897
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
[(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330102

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine (CID 105175626) is N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine is CCCOc1cncc(C(NC)c2cccnc2C)c1.
What is the InChIKey of N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine?
The InChIKey is CNMCULWFNYFSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-8-20-14-9-13(10-18-11-14)16(17-3)15-6-5-7-19-12(15)2/h5-7,9-11,16-17H,4,8H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine?
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105175626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).