3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine

C13H28N2O2 — CID 114228516

IUPAC3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
SMILESCOC(C)(C)C(N)CN(C)CC1CCOCC1
InChIInChI=1S/C13H28N2O2/c1-13(2,16-4)12(14)10-15(3)9-11-5-7-17-8-6-11/h11-12H,5-10,14H2,1-4H3
InChIKeyNAPKPWURJLOICD-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.10
Rot. Bonds6

About 3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine

3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine (PubChem CID 114228516) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
PubChem CID114228516
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
SMILESCOC(C)(C)C(N)CN(C)CC1CCOCC1
InChIInChI=1S/C13H28N2O2/c1-13(2,16-4)12(14)10-15(3)9-11-5-7-17-8-6-11/h11-12H,5-10,14H2,1-4H3
InChIKeyNAPKPWURJLOICD-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3,3-trimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63727678
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 63707559
methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate
CID 62386645
1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine
CID 113497188
1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 63713835
1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
CID 63760483
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711102
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
CID 115252169
N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115261041
2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine
CID 103152553
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butanenitrile
CID 115254595

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine (CID 114228516) is 3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine is COC(C)(C)C(N)CN(C)CC1CCOCC1.
What is the InChIKey of 3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine?
The InChIKey is NAPKPWURJLOICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-13(2,16-4)12(14)10-15(3)9-11-5-7-17-8-6-11/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine?
3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 114228516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).