4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine

C12H24N2O2 — CID 82740558

IUPAC4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine
SMILESCC1OCCC1N(C)CC1(N)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-10-11(3-6-16-10)14(2)9-12(13)4-7-15-8-5-12/h10-11H,3-9,13H2,1-2H3
InChIKeyWMSPNQQWTCHPFC-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.60
Rot. Bonds3

About 4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine

4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine (PubChem CID 82740558) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine
PubChem CID82740558
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine
SMILESCC1OCCC1N(C)CC1(N)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-10-11(3-6-16-10)14(2)9-12(13)4-7-15-8-5-12/h10-11H,3-9,13H2,1-2H3
InChIKeyWMSPNQQWTCHPFC-UHFFFAOYSA-N
XLogP0.60
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82740458
4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine
CID 115295354
[1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol
CID 82745987
[1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclobutyl]methanethiol
CID 82744847
4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine
CID 115295410
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethyloxolan-3-amine
CID 82743846
N,2-dimethyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxolan-3-amine
CID 82744009
N',2,2-trimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718331
4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 82744106
N,2-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]oxolan-3-amine
CID 82743845
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
2,2-difluoro-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 165467125

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine?
The IUPAC name of 4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine (CID 82740558) is 4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine.
What is the SMILES notation for 4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine?
The canonical SMILES for 4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine is CC1OCCC1N(C)CC1(N)CCOCC1.
What is the InChIKey of 4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine?
The InChIKey is WMSPNQQWTCHPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-11(3-6-16-10)14(2)9-12(13)4-7-15-8-5-12/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine?
4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine has a molecular weight of 228.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine is sourced from PubChem (CID 82740558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).