N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine

C16H28N2O2 — CID 106450090

IUPACN-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCCOCC(C)C)nc1
InChIInChI=1S/C16H28N2O2/c1-4-7-17-10-15-5-6-16(18-11-15)13-20-9-8-19-12-14(2)3/h5-6,11,14,17H,4,7-10,12-13H2,1-3H3
InChIKeyMKVJYEGAGHIORE-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.77
Rot. Bonds11

About N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine

N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 106450090) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine
PubChem CID106450090
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCCOCC(C)C)nc1
InChIInChI=1S/C16H28N2O2/c1-4-7-17-10-15-5-6-16(18-11-15)13-20-9-8-19-12-14(2)3/h5-6,11,14,17H,4,7-10,12-13H2,1-3H3
InChIKeyMKVJYEGAGHIORE-UHFFFAOYSA-N
XLogP2.77
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.77
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-[[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449780
2-methyl-N-[[6-(2-methylpentoxymethyl)-3-pyridinyl]methyl]propan-1-amine
CID 103285679
N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82006767
N-[[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449704
N-[[6-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 55232067
N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115626597
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine
CID 81342161
N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584556
N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-3-pyridinyl]methyl]propan-1-amine
CID 81315335
N-[[4-fluoro-3-(2-methylpropoxymethyl)phenyl]methyl]propan-1-amine
CID 107456933
1-[2-[[5-[2-(ethylamino)ethoxymethyl]-2-pyridinyl]methoxy]ethylamino]ethanol
CID 142623066
N-[[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 107695842

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine (CID 106450090) is N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(COCCOCC(C)C)nc1.
What is the InChIKey of N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is MKVJYEGAGHIORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-7-17-10-15-5-6-16(18-11-15)13-20-9-8-19-12-14(2)3/h5-6,11,14,17H,4,7-10,12-13H2,1-3H3.
What are the key properties of N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine?
N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 2.77, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106450090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).