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

C12H18N2O — CID 62290526

IUPACN-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
SMILESCC(C)Oc1ncccc1CNC1CC1
InChIInChI=1S/C12H18N2O/c1-9(2)15-12-10(4-3-7-13-12)8-14-11-5-6-11/h3-4,7,9,11,14H,5-6,8H2,1-2H3
InChIKeyRSXVDXVSOZANJF-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.12
Rot. Bonds5

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

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine (PubChem CID 62290526) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
PubChem CID62290526
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
SMILESCC(C)Oc1ncccc1CNC1CC1
InChIInChI=1S/C12H18N2O/c1-9(2)15-12-10(4-3-7-13-12)8-14-11-5-6-11/h3-4,7,9,11,14H,5-6,8H2,1-2H3
InChIKeyRSXVDXVSOZANJF-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

4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79741488
3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine
CID 103561785
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291950
2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cyclopentan-1-ol
CID 61374613
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine
CID 79950310
2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopentan-1-amine
CID 79860528
5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine
CID 79958638
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile
CID 62742241

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine (CID 62290526) is N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine is CC(C)Oc1ncccc1CNC1CC1.
What is the InChIKey of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine?
The InChIKey is RSXVDXVSOZANJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)15-12-10(4-3-7-13-12)8-14-11-5-6-11/h3-4,7,9,11,14H,5-6,8H2,1-2H3.
What are the key properties of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine?
N-[(2-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-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 62290526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).