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

C17H27ClN2O — CID 64747184

IUPACN-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(OC2CCC(C)C(C)C2)ccc1Cl
InChIInChI=1S/C17H27ClN2O/c1-4-9-19-11-16-15(18)7-8-17(20-16)21-14-6-5-12(2)13(3)10-14/h7-8,12-14,19H,4-6,9-11H2,1-3H3
InChIKeyFOTNUQJOVPIWMJ-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.44
Rot. Bonds6

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

N-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine (PubChem CID 64747184) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
PubChem CID64747184
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(OC2CCC(C)C(C)C2)ccc1Cl
InChIInChI=1S/C17H27ClN2O/c1-4-9-19-11-16-15(18)7-8-17(20-16)21-14-6-5-12(2)13(3)10-14/h7-8,12-14,19H,4-6,9-11H2,1-3H3
InChIKeyFOTNUQJOVPIWMJ-UHFFFAOYSA-N
XLogP4.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.44
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-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 63488284
N-[[3-chloro-6-(cyclohexylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 63489698
3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine
CID 63446263
N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296779
N-[[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 79781294
N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288773
N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298286
N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 64745207
N-[(6-but-3-enoxy-3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 62289677
N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288591
N-[[3-chloro-6-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 82792522
N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 55058768

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine (CID 64747184) is N-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine is CCCNCc1nc(OC2CCC(C)C(C)C2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is FOTNUQJOVPIWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-4-9-19-11-16-15(18)7-8-17(20-16)21-14-6-5-12(2)13(3)10-14/h7-8,12-14,19H,4-6,9-11H2,1-3H3.
What are the key properties of N-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
N-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 310.87 g/mol, XLogP of 4.44, 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-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 64747184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).