3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine

C12H26N2O2 — CID 103227138

IUPAC3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCOCC(CNC(C)C)N(C)C1CCOC1
InChIInChI=1S/C12H26N2O2/c1-10(2)13-7-12(8-15-4)14(3)11-5-6-16-9-11/h10-13H,5-9H2,1-4H3
InChIKeyKLSXITSFFSCRMX-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds7

About 3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine

3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 103227138) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID103227138
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCOCC(CNC(C)C)N(C)C1CCOC1
InChIInChI=1S/C12H26N2O2/c1-10(2)13-7-12(8-15-4)14(3)11-5-6-16-9-11/h10-13H,5-9H2,1-4H3
InChIKeyKLSXITSFFSCRMX-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Oxolan-3-yl)piperazine--hydrogen chloride (1/1)
CID 53249945
1-(Oxolan-3-yl)piperazine
CID 53249946
rac-(3R,4R)-4-(morpholin-4-yl)oxolan-3-amine
CID 86338125
N,N'-Bis[1-(methoxymethyl)propyl]ethane-1,2-diamine
CID 470079
N,N'-bis[(1R)-1-(methoxymethyl)propyl]ethane-1,2-diamine
CID 470080
N,N'-bis[1-(ethoxymethyl)propyl]ethane-1,2-diamine
CID 16727455
rac-(3R,4R)-N3,N3-dimethyloxolane-3,4-diamine
CID 11480462
1-Methoxy-3-(morpholin-4-yl)propan-2-amine
CID 81102361
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
trans-4-(4-Morpholinyl)tetrahydro-3-furanamine
CID 11194600
3,3,3-trifluoro-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82732524
1,1,1-trifluoro-2-N-methyl-2-N-(oxolan-3-yl)butane-2,3-diamine
CID 82733871

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine (CID 103227138) is 3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine is COCC(CNC(C)C)N(C)C1CCOC1.
What is the InChIKey of 3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is KLSXITSFFSCRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)13-7-12(8-15-4)14(3)11-5-6-16-9-11/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine?
3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 103227138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).