N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine

C16H26N2O2 — CID 106908631

IUPACN-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)(C)OCCOCc1cccc(CNC2CC2)n1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)20-10-9-19-12-15-6-4-5-14(18-15)11-17-13-7-8-13/h4-6,13,17H,7-12H2,1-3H3
InChIKeyKGEMEDROOMEDHJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.67
Rot. Bonds8

About N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine

N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 106908631) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID106908631
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)(C)OCCOCc1cccc(CNC2CC2)n1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)20-10-9-19-12-15-6-4-5-14(18-15)11-17-13-7-8-13/h4-6,13,17H,7-12H2,1-3H3
InChIKeyKGEMEDROOMEDHJ-UHFFFAOYSA-N
XLogP2.67
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.67
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-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106206138
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559240
N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106907736
N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106908050
N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908030
N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 115942925
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106206102
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 112589813
N-[[6-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908345
N-[[6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906060
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908716

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine (CID 106908631) is N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine is CC(C)(C)OCCOCc1cccc(CNC2CC2)n1.
What is the InChIKey of N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is KGEMEDROOMEDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)20-10-9-19-12-15-6-4-5-14(18-15)11-17-13-7-8-13/h4-6,13,17H,7-12H2,1-3H3.
What are the key properties of N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 278.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106908631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).