N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine

C16H25ClN2O — CID 63488284

IUPACN-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(OC2CCC(C)CC2)ccc1Cl
InChIInChI=1S/C16H25ClN2O/c1-3-10-18-11-15-14(17)8-9-16(19-15)20-13-6-4-12(2)5-7-13/h8-9,12-13,18H,3-7,10-11H2,1-2H3
InChIKeyBUTAKYQBUKBKRZ-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.19
Rot. Bonds6

About N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine

N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine (PubChem CID 63488284) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
PubChem CID63488284
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(OC2CCC(C)CC2)ccc1Cl
InChIInChI=1S/C16H25ClN2O/c1-3-10-18-11-15-14(17)8-9-16(19-15)20-13-6-4-12(2)5-7-13/h8-9,12-13,18H,3-7,10-11H2,1-2H3
InChIKeyBUTAKYQBUKBKRZ-UHFFFAOYSA-N
XLogP4.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine (CID 63488284) is N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine is CCCNCc1nc(OC2CCC(C)CC2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is BUTAKYQBUKBKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-3-10-18-11-15-14(17)8-9-16(19-15)20-13-6-4-12(2)5-7-13/h8-9,12-13,18H,3-7,10-11H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 296.84 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 63488284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).