3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine

C14H32N2O2 — CID 114228461

IUPAC3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
SMILESCCCNC(CN(C)C(C)COC)C(C)(C)OC
InChIInChI=1S/C14H32N2O2/c1-8-9-15-13(14(3,4)18-7)10-16(5)12(2)11-17-6/h12-13,15H,8-11H2,1-7H3
InChIKeyAHTLWXVMTKCQOD-UHFFFAOYSA-N
MW260.42 g/mol
LogP1.75
Rot. Bonds10

About 3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine

3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine (PubChem CID 114228461) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
PubChem CID114228461
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Name3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
SMILESCCCNC(CN(C)C(C)COC)C(C)(C)OC
InChIInChI=1S/C14H32N2O2/c1-8-9-15-13(14(3,4)18-7)10-16(5)12(2)11-17-6/h12-13,15H,8-11H2,1-7H3
InChIKeyAHTLWXVMTKCQOD-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine
CID 114228672
2-methoxy-2,5-dimethyl-N-propyloctan-3-amine
CID 79198397
1-N-(3,3-dimethylbutan-2-yl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505584
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169
N-(1-methoxypropan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 62429833
1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198161
2-methoxy-2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79198392
(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 103935012
1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine
CID 61453428
7,7,7-trifluoro-2-methoxy-2-methyl-N-propylheptan-3-amine
CID 113327134

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine (CID 114228461) is 3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine is CCCNC(CN(C)C(C)COC)C(C)(C)OC.
What is the InChIKey of 3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine?
The InChIKey is AHTLWXVMTKCQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-8-9-15-13(14(3,4)18-7)10-16(5)12(2)11-17-6/h12-13,15H,8-11H2,1-7H3.
What are the key properties of 3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine?
3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine has a molecular weight of 260.42 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 114228461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).