N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine

C14H24N2O2 — CID 62973918

IUPACN-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine
SMILESCNCc1cc(CN2CCCOC(C)C2)oc1C
InChIInChI=1S/C14H24N2O2/c1-11-9-16(5-4-6-17-11)10-14-7-13(8-15-3)12(2)18-14/h7,11,15H,4-6,8-10H2,1-3H3
InChIKeyHAOOSHCJJXWECL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.92
Rot. Bonds4

About N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine

N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine (PubChem CID 62973918) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine
PubChem CID62973918
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine
SMILESCNCc1cc(CN2CCCOC(C)C2)oc1C
InChIInChI=1S/C14H24N2O2/c1-11-9-16(5-4-6-17-11)10-14-7-13(8-15-3)12(2)18-14/h7,11,15H,4-6,8-10H2,1-3H3
InChIKeyHAOOSHCJJXWECL-UHFFFAOYSA-N
XLogP1.92
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine with MolForge

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Related Compounds

1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 79183372
N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine
CID 62973922
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 115562245
1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62417631
N-methyl-1-[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methanamine
CID 62418078
N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 63167944
1-[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]-N-methylmethanamine
CID 62988832
[5-methyl-4-[(2-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine
CID 62439115
1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62411604
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62930821
N-[[2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62437586
1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 104692338

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine (CID 62973918) is N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine is CNCc1cc(CN2CCCOC(C)C2)oc1C.
What is the InChIKey of N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine?
The InChIKey is HAOOSHCJJXWECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11-9-16(5-4-6-17-11)10-14-7-13(8-15-3)12(2)18-14/h7,11,15H,4-6,8-10H2,1-3H3.
What are the key properties of N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine?
N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62973918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).