N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine

C12H18N2O — CID 62290349

IUPACN-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
SMILESCC(C)Oc1ccc(CNC2CC2)cn1
InChIInChI=1S/C12H18N2O/c1-9(2)15-12-6-3-10(8-14-12)7-13-11-4-5-11/h3,6,8-9,11,13H,4-5,7H2,1-2H3
InChIKeyRHMRYBXVYBSJER-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.12
Rot. Bonds5

About N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine

N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine (PubChem CID 62290349) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
PubChem CID62290349
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
SMILESCC(C)Oc1ccc(CNC2CC2)cn1
InChIInChI=1S/C12H18N2O/c1-9(2)15-12-6-3-10(8-14-12)7-13-11-4-5-11/h3,6,8-9,11,13H,4-5,7H2,1-2H3
InChIKeyRHMRYBXVYBSJER-UHFFFAOYSA-N
XLogP2.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 66226369
N-[(6-but-2-enoxy-3-pyridinyl)methyl]cyclopropanamine
CID 76938434
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 65081064
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
5-(bromomethyl)-2-propan-2-yloxypyridine
CID 130153198
1-cyclopropyl-3-ethyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 110988306
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51082730
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285151
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915278

Frequently Asked Questions

What is the IUPAC name of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine (CID 62290349) is N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine is CC(C)Oc1ccc(CNC2CC2)cn1.
What is the InChIKey of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine?
The InChIKey is RHMRYBXVYBSJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)15-12-6-3-10(8-14-12)7-13-11-4-5-11/h3,6,8-9,11,13H,4-5,7H2,1-2H3.
What are the key properties of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine?
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine has a molecular weight of 206.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 62290349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).