N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine

C12H18N2O — CID 103991879

IUPACN-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine
SMILESCOC1(CNCc2ccncc2)CCC1
InChIInChI=1S/C12H18N2O/c1-15-12(5-2-6-12)10-14-9-11-3-7-13-8-4-11/h3-4,7-8,14H,2,5-6,9-10H2,1H3
InChIKeyMQSNQOVFHMRCIY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.74
Rot. Bonds5

About N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine

N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 103991879) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID103991879
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine
SMILESCOC1(CNCc2ccncc2)CCC1
InChIInChI=1S/C12H18N2O/c1-15-12(5-2-6-12)10-14-9-11-3-7-13-8-4-11/h3-4,7-8,14H,2,5-6,9-10H2,1H3
InChIKeyMQSNQOVFHMRCIY-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 102809731
N-[(1-methoxycyclobutyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103991656
N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine
CID 103991761
N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756789
N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine
CID 103991561
N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine
CID 107267578
1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991560
3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine
CID 104925280
1-(3-chloro-4-fluorophenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991536
2-bromo-4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 114118923
trans-(1S,3R)-N,N,3-trimethyl-1-[(pyridin-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 129366227
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991711

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine (CID 103991879) is N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine is COC1(CNCc2ccncc2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is MQSNQOVFHMRCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-12(5-2-6-12)10-14-9-11-3-7-13-8-4-11/h3-4,7-8,14H,2,5-6,9-10H2,1H3.
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine?
N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.74, 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-pyridin-4-ylmethanamine is sourced from PubChem (CID 103991879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).