N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine

C14H23ClN2O — CID 62290699

IUPACN-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCCC(C)C)c(Cl)c1
InChIInChI=1S/C14H23ClN2O/c1-4-6-16-9-12-8-13(15)14(17-10-12)18-7-5-11(2)3/h8,10-11,16H,4-7,9H2,1-3H3
InChIKeyLUUFVZFRSCYFPP-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.66
Rot. Bonds8

About N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62290699) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62290699
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCCC(C)C)c(Cl)c1
InChIInChI=1S/C14H23ClN2O/c1-4-6-16-9-12-8-13(15)14(17-10-12)18-7-5-11(2)3/h8,10-11,16H,4-7,9H2,1-3H3
InChIKeyLUUFVZFRSCYFPP-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.66
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

N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82007112
N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine
CID 103405941
1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79679769
N-[(5-chloro-6-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63487951
1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
CID 62292187
3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine
CID 63490143
N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66275529
N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297479
N-[[3,5-dimethyl-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 43276751
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358
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

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine (CID 62290699) is N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(OCCC(C)C)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is LUUFVZFRSCYFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-4-6-16-9-12-8-13(15)14(17-10-12)18-7-5-11(2)3/h8,10-11,16H,4-7,9H2,1-3H3.
What are the key properties of N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 270.80 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62290699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).