N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine

C15H24N2O — CID 81255109

IUPACN-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1OC1CCCC1
InChIInChI=1S/C15H24N2O/c1-3-8-16-10-13-11-17-12(2)9-15(13)18-14-6-4-5-7-14/h9,11,14,16H,3-8,10H2,1-2H3
InChIKeyVMQXIALRKZXCTN-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.21
Rot. Bonds6

About N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 81255109) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID81255109
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1OC1CCCC1
InChIInChI=1S/C15H24N2O/c1-3-8-16-10-13-11-17-12(2)9-15(13)18-14-6-4-5-7-14/h9,11,14,16H,3-8,10H2,1-2H3
InChIKeyVMQXIALRKZXCTN-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.21
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

1-[4-(3-methoxycyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81251176
N-[[4-(2-methoxyethoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254724
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 116793446
1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 114342352
N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81254555
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81250354
N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine
CID 63490204
N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82792176
N-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81253896
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81253176
N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 62287174

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine (CID 81255109) is N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNCc1cnc(C)cc1OC1CCCC1.
What is the InChIKey of N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is VMQXIALRKZXCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-8-16-10-13-11-17-12(2)9-15(13)18-14-6-4-5-7-14/h9,11,14,16H,3-8,10H2,1-2H3.
What are the key properties of N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 81255109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).