N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine

C13H20N2O — CID 104756789

IUPACN-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
SMILESCOC1(CNCc2ccc(C)nc2)CCC1
InChIInChI=1S/C13H20N2O/c1-11-4-5-12(9-15-11)8-14-10-13(16-2)6-3-7-13/h4-5,9,14H,3,6-8,10H2,1-2H3
InChIKeyOIRFUUMWKGUMJK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.05
Rot. Bonds5

About N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine

N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine (PubChem CID 104756789) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
PubChem CID104756789
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
SMILESCOC1(CNCc2ccc(C)nc2)CCC1
InChIInChI=1S/C13H20N2O/c1-11-4-5-12(9-15-11)8-14-10-13(16-2)6-3-7-13/h4-5,9,14H,3,6-8,10H2,1-2H3
InChIKeyOIRFUUMWKGUMJK-UHFFFAOYSA-N
XLogP2.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylcyclopropyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756472
4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 102809731
N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine
CID 103991879
1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 104756480
N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine
CID 103991761
1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991560
N-[(1-methoxycyclobutyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103991656
N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine
CID 103991561
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991547
1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol
CID 114936941
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 104756694
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 80695988

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine (CID 104756789) is N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine is COC1(CNCc2ccc(C)nc2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is OIRFUUMWKGUMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-4-5-12(9-15-11)8-14-10-13(16-2)6-3-7-13/h4-5,9,14H,3,6-8,10H2,1-2H3.
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 104756789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).