1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine

C15H26ClN3O — CID 79679769

IUPAC1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
SMILESCCCNCc1cnc(OCC(C)(C)N(C)C)c(Cl)c1
InChIInChI=1S/C15H26ClN3O/c1-6-7-17-9-12-8-13(16)14(18-10-12)20-11-15(2,3)19(4)5/h8,10,17H,6-7,9,11H2,1-5H3
InChIKeyMQPNWSCCCMTPGM-UHFFFAOYSA-N
MW299.85 g/mol
LogP2.95
Rot. Bonds8

About 1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine

1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine (PubChem CID 79679769) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
PubChem CID79679769
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
SMILESCCCNCc1cnc(OCC(C)(C)N(C)C)c(Cl)c1
InChIInChI=1S/C15H26ClN3O/c1-6-7-17-9-12-8-13(16)14(18-10-12)20-11-15(2,3)19(4)5/h8,10,17H,6-7,9,11H2,1-5H3
InChIKeyMQPNWSCCCMTPGM-UHFFFAOYSA-N
XLogP2.95
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine with MolForge

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Related Compounds

N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290699
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82007112
N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66275529
N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine
CID 63488635
N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297479
N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine
CID 103405941
3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine
CID 63490143
N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62295927
N-[[5-chloro-6-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 62287711
3-[[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62298233
N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine
CID 62298131
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine (CID 79679769) is 1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine is CCCNCc1cnc(OCC(C)(C)N(C)C)c(Cl)c1.
What is the InChIKey of 1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
The InChIKey is MQPNWSCCCMTPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-6-7-17-9-12-8-13(16)14(18-10-12)20-11-15(2,3)19(4)5/h8,10,17H,6-7,9,11H2,1-5H3.
What are the key properties of 1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine has a molecular weight of 299.85 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 79679769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).