N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine

C14H24N2O2 — CID 55058387

IUPACN-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OCCOC(C)C)ccn1
InChIInChI=1S/C14H24N2O2/c1-4-6-15-11-13-10-14(5-7-16-13)18-9-8-17-12(2)3/h5,7,10,12,15H,4,6,8-9,11H2,1-3H3
InChIKeyVOYFDPYKMYYMTB-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.38
Rot. Bonds9

About N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine

N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 55058387) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID55058387
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OCCOC(C)C)ccn1
InChIInChI=1S/C14H24N2O2/c1-4-6-15-11-13-10-14(5-7-16-13)18-9-8-17-12(2)3/h5,7,10,12,15H,4,6,8-9,11H2,1-3H3
InChIKeyVOYFDPYKMYYMTB-UHFFFAOYSA-N
XLogP2.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
N-methyl-N-[2-[[2-(propylaminomethyl)-4-pyridinyl]oxy]ethyl]cyclopropanamine
CID 102740576
N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 65125344
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 104566339
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104566255
N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 76938521
N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62297574
N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62290181
N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine
CID 55055011
N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 64745207

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine (CID 55058387) is N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(OCCOC(C)C)ccn1.
What is the InChIKey of N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is VOYFDPYKMYYMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-6-15-11-13-10-14(5-7-16-13)18-9-8-17-12(2)3/h5,7,10,12,15H,4,6,8-9,11H2,1-3H3.
What are the key properties of N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 55058387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).