N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine

C12H23NO2 — CID 103991529

IUPACN-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine
SMILESCOC1(CNCC2CCOCC2)CCC1
InChIInChI=1S/C12H23NO2/c1-14-12(5-2-6-12)10-13-9-11-3-7-15-8-4-11/h11,13H,2-10H2,1H3
InChIKeyJETJQVBHVRLOQZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.57
Rot. Bonds5

About N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine

N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 103991529) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID103991529
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine
SMILESCOC1(CNCC2CCOCC2)CCC1
InChIInChI=1S/C12H23NO2/c1-14-12(5-2-6-12)10-13-9-11-3-7-15-8-4-11/h11,13H,2-10H2,1H3
InChIKeyJETJQVBHVRLOQZ-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975
N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166780
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine
CID 115244778
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine
CID 115363368
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 107095396
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887835
2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol
CID 107268217
2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine
CID 55066245
N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine
CID 62106808
N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887846
1-(4-methoxyoxan-4-yl)-2-(oxan-4-yl)ethanone
CID 116748604
N'-(oxan-4-ylmethyl)methanediamine
CID 115225805

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine (CID 103991529) is N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine is COC1(CNCC2CCOCC2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is JETJQVBHVRLOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-14-12(5-2-6-12)10-13-9-11-3-7-15-8-4-11/h11,13H,2-10H2,1H3.
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine?
N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 213.32 g/mol, XLogP of 1.57, 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-(oxan-4-yl)methanamine is sourced from PubChem (CID 103991529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).