N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine

C13H22N2O — CID 102881006

IUPACN-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1cncc(C)c1
InChIInChI=1S/C13H22N2O/c1-3-6-16-7-4-5-14-10-13-8-12(2)9-15-11-13/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyQRVGRJTYQPNYHZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.30
Rot. Bonds8

About N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine

N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine (PubChem CID 102881006) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine
PubChem CID102881006
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1cncc(C)c1
InChIInChI=1S/C13H22N2O/c1-3-6-16-7-4-5-14-10-13-8-12(2)9-15-11-13/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyQRVGRJTYQPNYHZ-UHFFFAOYSA-N
XLogP2.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.30
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-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880746
N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 102880836
N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880820
N-[(5-methyl-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 102881076
4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine
CID 102880995
N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82941583
2-cyclopentyloxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880866
N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine
CID 107038817
N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine
CID 82939930
N-[(3-chloro-4-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 106817046
ethyl 3-[(5-methyl-3-pyridinyl)methylamino]propanoate
CID 102877449

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine (CID 102881006) is N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine is CCCOCCCNCc1cncc(C)c1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine?
The InChIKey is QRVGRJTYQPNYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-6-16-7-4-5-14-10-13-8-12(2)9-15-11-13/h8-9,11,14H,3-7,10H2,1-2H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine?
N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine is sourced from PubChem (CID 102881006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).