4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine

C12H24N2O2 — CID 115295354

IUPAC4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine
SMILESCN(CC1(N)CCOCC1)C1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-14(11-2-6-15-7-3-11)10-12(13)4-8-16-9-5-12/h11H,2-10,13H2,1H3
InChIKeyIGEHZWLZXUVOMZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds3

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

4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine (PubChem CID 115295354) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine
PubChem CID115295354
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine
SMILESCN(CC1(N)CCOCC1)C1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-14(11-2-6-15-7-3-11)10-12(13)4-8-16-9-5-12/h11H,2-10,13H2,1H3
InChIKeyIGEHZWLZXUVOMZ-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine
CID 115295410
1-[[cyclopropyl(methyl)amino]methyl]cyclopropan-1-amine
CID 65457489
1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242179
4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine
CID 82740558
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine
CID 82748066
N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 28598778
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine
CID 62258238
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine
CID 65004803
4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid
CID 62390479
4-[(N,4-dimethylanilino)methyl]oxan-4-amine
CID 115295457
N-[(1-aminocyclopropyl)methyl]-N,1-dimethylpyrrolidin-3-amine
CID 115256600
2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 62258589

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine?
The IUPAC name of 4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine (CID 115295354) is 4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine.
What is the SMILES notation for 4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine?
The canonical SMILES for 4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine is CN(CC1(N)CCOCC1)C1CCOCC1.
What is the InChIKey of 4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine?
The InChIKey is IGEHZWLZXUVOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(11-2-6-15-7-3-11)10-12(13)4-8-16-9-5-12/h11H,2-10,13H2,1H3.
What are the key properties of 4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine?
4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine has a molecular weight of 228.34 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine is sourced from PubChem (CID 115295354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).