N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane

C16H30N2O — CID 143263226

IUPACN-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane
SMILESCCC.CCCOCCNCc1cnc(C)c(C)c1
InChIInChI=1S/C13H22N2O.C3H8/c1-4-6-16-7-5-14-9-13-8-11(2)12(3)15-10-13;1-3-2/h8,10,14H,4-7,9H2,1-3H3;3H2,1-2H3
InChIKeyYJEJPFYAMFXPKY-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.63
Rot. Bonds7

About N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane

N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane (PubChem CID 143263226) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane.

Molecular Properties

Compound NameN-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane
PubChem CID143263226
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane
SMILESCCC.CCCOCCNCc1cnc(C)c(C)c1
InChIInChI=1S/C13H22N2O.C3H8/c1-4-6-16-7-5-14-9-13-8-11(2)12(3)15-10-13;1-3-2/h8,10,14H,4-7,9H2,1-3H3;3H2,1-2H3
InChIKeyYJEJPFYAMFXPKY-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.63
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-(Morpholin-4-yl)-2-(pyrid-3-yl)ethylamine
CID 4988991
N-[4-(4-Morpholinyl)phenyl]-4-pyridinemethanamine
CID 788565
[3-(Morpholin-4-yl)propyl][(pyridin-4-yl)methyl]amine
CID 3152148
Methyl[1-(pyridin-3-yl)ethyl]amine
CID 16778481
N-(2,2-diethoxyethyl)pyridine-2-methylamine
CID 81407
N-(2,2-diethoxyethyl)pyridine-4-methylamine
CID 96638
n-Benzyl-2-(pyridin-2-yl)ethanamine
CID 238354
1-[4-(1-oxa-5,8,11-triazacyclotetradec-8-ylmethyl)phenyl]-N-(2-pyridylmethyl)methanamine
CID 20610200
(2-(Morpholin-4-yl)ethyl)(pyridin-4-ylmethyl)amine
CID 3152379
2-[(Pyridin-3-ylmethyl)-amino]-ethanol
CID 3127274
(3-Ethoxy-propyl)-(phenyl-pyridin-4-yl-methyl)-amine
CID 3153479
(6-Methylpyridin-3-yl)methanamine
CID 12214337

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane?
The IUPAC name of N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane (CID 143263226) is N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane.
What is the SMILES notation for N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane?
The canonical SMILES for N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane is CCC.CCCOCCNCc1cnc(C)c(C)c1.
What is the InChIKey of N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane?
The InChIKey is YJEJPFYAMFXPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.C3H8/c1-4-6-16-7-5-14-9-13-8-11(2)12(3)15-10-13;1-3-2/h8,10,14H,4-7,9H2,1-3H3;3H2,1-2H3.
What are the key properties of N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane?
N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane has a molecular weight of 266.43 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-propoxyethanamine;propane is sourced from PubChem (CID 143263226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).