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

C13H28N2O — CID 103058880

IUPACN-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine
SMILESCNC1CCOCC1CN(C)C(C)C(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)11(3)15(5)8-12-9-16-7-6-13(12)14-4/h10-14H,6-9H2,1-5H3
InChIKeyBFACRULIYLSQIX-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.59
Rot. Bonds5

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

N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine (PubChem CID 103058880) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine
PubChem CID103058880
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine
SMILESCNC1CCOCC1CN(C)C(C)C(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)11(3)15(5)8-12-9-16-7-6-13(12)14-4/h10-14H,6-9H2,1-5H3
InChIKeyBFACRULIYLSQIX-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl-[[4-(methylamino)oxan-3-yl]methyl]amino]propan-2-ol
CID 103059860
N-methyl-3-(2-methylpropyl)oxan-4-amine
CID 106469078
3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine
CID 103060612
3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
CID 103058871
N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine
CID 103059500
N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103059892
N-ethyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxan-4-amine
CID 103059669
3-(3-methoxypropyl)-N-methyloxan-4-amine
CID 106469107
N-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine
CID 66245583
2-[cyclohexyl-[[4-(methylamino)oxan-3-yl]methyl]amino]ethanol
CID 103059443
N,2,2-trimethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79853096
N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744855

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine?
The IUPAC name of N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine (CID 103058880) is N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine?
The canonical SMILES for N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine is CNC1CCOCC1CN(C)C(C)C(C)C.
What is the InChIKey of N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine?
The InChIKey is BFACRULIYLSQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)11(3)15(5)8-12-9-16-7-6-13(12)14-4/h10-14H,6-9H2,1-5H3.
What are the key properties of N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine?
N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine has a molecular weight of 228.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine is sourced from PubChem (CID 103058880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).