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

C16H26N2O — CID 81254393

IUPACN-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1OC1CCCCC1C
InChIInChI=1S/C16H26N2O/c1-3-9-17-11-14-12-18-10-8-16(14)19-15-7-5-4-6-13(15)2/h8,10,12-13,15,17H,3-7,9,11H2,1-2H3
InChIKeyICRVOOSWKKZJAS-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.54
Rot. Bonds6

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

N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81254393) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine
PubChem CID81254393
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1OC1CCCCC1C
InChIInChI=1S/C16H26N2O/c1-3-9-17-11-14-12-18-10-8-16(14)19-15-7-5-4-6-13(15)2/h8,10,12-13,15,17H,3-7,9,11H2,1-2H3
InChIKeyICRVOOSWKKZJAS-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.54
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

[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 81254856
N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81254183
N-[[3-fluoro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105390827
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81248433
N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075597
4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid
CID 81228628
N-cycloheptyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247077
N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249376
N-cyclopentyl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072971
N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251065
N-[[4-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82957136

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine (CID 81254393) is N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnccc1OC1CCCCC1C.
What is the InChIKey of N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is ICRVOOSWKKZJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-9-17-11-14-12-18-10-8-16(14)19-15-7-5-4-6-13(15)2/h8,10,12-13,15,17H,3-7,9,11H2,1-2H3.
What are the key properties of N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81254393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).