[4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine

C12H18N2O — CID 132587623

IUPAC[4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine
SMILESCC1(COc2ccncc2CN)CCC1
InChIInChI=1S/C12H18N2O/c1-12(4-2-5-12)9-15-11-3-6-14-8-10(11)7-13/h3,6,8H,2,4-5,7,9,13H2,1H3
InChIKeyNVVZSZJDUQNETR-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.11
Rot. Bonds4

About [4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine

[4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine (PubChem CID 132587623) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine
PubChem CID132587623
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine
SMILESCC1(COc2ccncc2CN)CCC1
InChIInChI=1S/C12H18N2O/c1-12(4-2-5-12)9-15-11-3-6-14-8-10(11)7-13/h3,6,8H,2,4-5,7,9,13H2,1H3
InChIKeyNVVZSZJDUQNETR-UHFFFAOYSA-N
XLogP2.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methylbutoxy)-3-pyridinyl]methanamine
CID 81255354
[4-(2-cyclobutylethoxy)-3-pyridinyl]methanamine
CID 106205679
4-[(1-methylcyclopentyl)methoxy]pyridine
CID 129278119
[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine
CID 112589639
[4-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 81250968
[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 81254856
[4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine
CID 81253366
[4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine
CID 132587694
[4-(4-ethylphenoxy)-3-pyridinyl]methanamine
CID 81250347
[4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine
CID 81250207
2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde
CID 174050696
1-[(4-methyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine
CID 164888263

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine?
The IUPAC name of [4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine (CID 132587623) is [4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine.
What is the SMILES notation for [4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine?
The canonical SMILES for [4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine is CC1(COc2ccncc2CN)CCC1.
What is the InChIKey of [4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine?
The InChIKey is NVVZSZJDUQNETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(4-2-5-12)9-15-11-3-6-14-8-10(11)7-13/h3,6,8H,2,4-5,7,9,13H2,1H3.
What are the key properties of [4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine?
[4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 132587623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).