2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine

C12H26N2O2 — CID 103152553

IUPAC2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine
SMILESCOC(CN)CCN(C)CC1CCOCC1
InChIInChI=1S/C12H26N2O2/c1-14(6-3-12(9-13)15-2)10-11-4-7-16-8-5-11/h11-12H,3-10,13H2,1-2H3
InChIKeySPBXFFFVIJNXCW-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.71
Rot. Bonds7

About 2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine

2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine (PubChem CID 103152553) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine
PubChem CID103152553
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine
SMILESCOC(CN)CCN(C)CC1CCOCC1
InChIInChI=1S/C12H26N2O2/c1-14(6-3-12(9-13)15-2)10-11-4-7-16-8-5-11/h11-12H,3-10,13H2,1-2H3
InChIKeySPBXFFFVIJNXCW-UHFFFAOYSA-N
XLogP0.71
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 82017136
2-methoxy-N'-methyl-N'-[(2-methylcyclopropyl)methyl]butane-1,4-diamine
CID 103152563
1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine
CID 113497188
3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine
CID 63712799
2-methoxy-N'-methyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 106114843
4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
CID 120593000
1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 64819145
2-methoxy-N',N'-dimethylbutane-1,4-diamine
CID 83826305
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115261041
2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine
CID 103152493
3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 114228516

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine?
The IUPAC name of 2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine (CID 103152553) is 2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for 2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine?
The canonical SMILES for 2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine is COC(CN)CCN(C)CC1CCOCC1.
What is the InChIKey of 2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine?
The InChIKey is SPBXFFFVIJNXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-14(6-3-12(9-13)15-2)10-11-4-7-16-8-5-11/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine?
2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 103152553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).