N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine

C16H21N3 — CID 105098192

IUPACN-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)c1ccc(C)nc1C
InChIInChI=1S/C16H21N3/c1-4-9-18-16(14-6-5-10-17-11-14)15-8-7-12(2)19-13(15)3/h5-8,10-11,16,18H,4,9H2,1-3H3
InChIKeyBFRXSVAYQPYXBS-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.18
Rot. Bonds5

About N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine

N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine (PubChem CID 105098192) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine
PubChem CID105098192
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)c1ccc(C)nc1C
InChIInChI=1S/C16H21N3/c1-4-9-18-16(14-6-5-10-17-11-14)15-8-7-12(2)19-13(15)3/h5-8,10-11,16,18H,4,9H2,1-3H3
InChIKeyBFRXSVAYQPYXBS-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 62791362
N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 115604781
N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63990259
N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81209832
N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43494512
N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43495177
N-[(2-methyl-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105173897
N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098171
N-[(2,6-dimethyl-3-pyridinyl)-pyrazin-2-ylmethyl]ethanamine
CID 105150000
N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849
N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 114727737
N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 103374852

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine (CID 105098192) is N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine is CCCNC(c1cccnc1)c1ccc(C)nc1C.
What is the InChIKey of N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine?
The InChIKey is BFRXSVAYQPYXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-9-18-16(14-6-5-10-17-11-14)15-8-7-12(2)19-13(15)3/h5-8,10-11,16,18H,4,9H2,1-3H3.
What are the key properties of N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine?
N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 105098192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).