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

C17H28N2O — CID 64745207

IUPACN-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OC2CCC(C)C(C)C2)ccn1
InChIInChI=1S/C17H28N2O/c1-4-8-18-12-15-11-17(7-9-19-15)20-16-6-5-13(2)14(3)10-16/h7,9,11,13-14,16,18H,4-6,8,10,12H2,1-3H3
InChIKeyFEZQSYZNTHUFKS-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.78
Rot. Bonds6

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

N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine (PubChem CID 64745207) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
PubChem CID64745207
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OC2CCC(C)C(C)C2)ccn1
InChIInChI=1S/C17H28N2O/c1-4-8-18-12-15-11-17(7-9-19-15)20-16-6-5-13(2)14(3)10-16/h7,9,11,13-14,16,18H,4-6,8,10,12H2,1-3H3
InChIKeyFEZQSYZNTHUFKS-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 79781294
N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
N-[(4-cycloheptyloxy-2-pyridinyl)methyl]ethanamine
CID 62297885
N-methyl-N-[2-[[2-(propylaminomethyl)-4-pyridinyl]oxy]ethyl]cyclopropanamine
CID 102740576
N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine
CID 63558303
N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64730619
N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 64739927
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]propan-1-amine
CID 62295954
N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288945
N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 65469036
N-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 64747184
N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 55058387

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine (CID 64745207) is N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(OC2CCC(C)C(C)C2)ccn1.
What is the InChIKey of N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is FEZQSYZNTHUFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-8-18-12-15-11-17(7-9-19-15)20-16-6-5-13(2)14(3)10-16/h7,9,11,13-14,16,18H,4-6,8,10,12H2,1-3H3.
What are the key properties of N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine?
N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 64745207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).