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

C13H26N2O2 — CID 55140178

IUPACN-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine
SMILESCNCC1CCC(CN2CCCOC(C)C2)O1
InChIInChI=1S/C13H26N2O2/c1-11-9-15(6-3-7-16-11)10-13-5-4-12(17-13)8-14-2/h11-14H,3-10H2,1-2H3
InChIKeyIGAWDEJAQASMGH-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.86
Rot. Bonds4

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

N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine (PubChem CID 55140178) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine
PubChem CID55140178
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine
SMILESCNCC1CCC(CN2CCCOC(C)C2)O1
InChIInChI=1S/C13H26N2O2/c1-11-9-15(6-3-7-16-11)10-13-5-4-12(17-13)8-14-2/h11-14H,3-10H2,1-2H3
InChIKeyIGAWDEJAQASMGH-UHFFFAOYSA-N
XLogP0.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62973926
[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine
CID 62974112
N-methyl-1-[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methanamine
CID 62437708
N-methyl-1-[5-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxolan-2-yl]methanamine
CID 62436334
1-[5-[(3-methoxypyrrolidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine
CID 103539697
1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62412100
N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine
CID 63166921
N-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973354
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine
CID 62974788
N-methyl-1-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62512958
N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973886
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62973885

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine (CID 55140178) is N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-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]oxolan-2-yl]methanamine?
The InChIKey is IGAWDEJAQASMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11-9-15(6-3-7-16-11)10-13-5-4-12(17-13)8-14-2/h11-14H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine?
N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine has a molecular weight of 242.36 g/mol, XLogP of 0.86, 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]oxolan-2-yl]methanamine is sourced from PubChem (CID 55140178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).