N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine

C13H22N2O2 — CID 62973922

IUPACN-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1ccc(CN2CCCOC(C)C2)o1
InChIInChI=1S/C13H22N2O2/c1-11-9-15(6-3-7-16-11)10-13-5-4-12(17-13)8-14-2/h4-5,11,14H,3,6-10H2,1-2H3
InChIKeyFVMZYYXSBMRGFN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds4

About N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine

N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine (PubChem CID 62973922) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine
PubChem CID62973922
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1ccc(CN2CCCOC(C)C2)o1
InChIInChI=1S/C13H22N2O2/c1-11-9-15(6-3-7-16-11)10-13-5-4-12(17-13)8-14-2/h4-5,11,14H,3,6-10H2,1-2H3
InChIKeyFVMZYYXSBMRGFN-UHFFFAOYSA-N
XLogP1.61
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine
CID 62973918
N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62974116
1-[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]-N-methylmethanamine
CID 62988832
N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62974101
N-methyl-1-[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
CID 62418650
N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62974113
N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62973740
2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62973579
N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62969152
4-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-1,4-oxazepane
CID 65326119
2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906466
N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906469

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine (CID 62973922) is N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine is CNCc1ccc(CN2CCCOC(C)C2)o1.
What is the InChIKey of N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine?
The InChIKey is FVMZYYXSBMRGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11-9-15(6-3-7-16-11)10-13-5-4-12(17-13)8-14-2/h4-5,11,14H,3,6-10H2,1-2H3.
What are the key properties of N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine?
N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62973922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).