1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine

C12H29N3O — CID 107505986

IUPAC1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
SMILESCCN(CC(COC)NC)C(C)CN(C)C
InChIInChI=1S/C12H29N3O/c1-7-15(11(2)8-14(4)5)9-12(13-3)10-16-6/h11-13H,7-10H2,1-6H3
InChIKeyYURFPFHZLCHXTL-UHFFFAOYSA-N
MW231.38 g/mol
LogP0.49
Rot. Bonds9

About 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine

1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine (PubChem CID 107505986) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
PubChem CID107505986
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC Name1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
SMILESCCN(CC(COC)NC)C(C)CN(C)C
InChIInChI=1S/C12H29N3O/c1-7-15(11(2)8-14(4)5)9-12(13-3)10-16-6/h11-13H,7-10H2,1-6H3
InChIKeyYURFPFHZLCHXTL-UHFFFAOYSA-N
XLogP0.49
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine
CID 103188488
3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine
CID 107505560
3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine
CID 107505554
3-methoxy-1-N,2-N-dimethyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 107505411
3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 107505408
1,3-dimethoxy-N-methylpropan-2-amine;ethane
CID 171819113
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188353
(2R)-1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188351
1-[1-(dimethylamino)propan-2-yl-ethylamino]-3-(methylamino)propan-2-ol
CID 103188299
1-methoxy-N,7-dimethyloctan-2-amine
CID 83158137
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103227433
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine (CID 107505986) is 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine is CCN(CC(COC)NC)C(C)CN(C)C.
What is the InChIKey of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine?
The InChIKey is YURFPFHZLCHXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O/c1-7-15(11(2)8-14(4)5)9-12(13-3)10-16-6/h11-13H,7-10H2,1-6H3.
What are the key properties of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine?
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine has a molecular weight of 231.38 g/mol, XLogP of 0.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 107505986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).