1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine

C13H22N2O2 — CID 113297532

IUPAC1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCOC(OC)C(C)Nc1cccc(N(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-10(13(16-4)17-5)14-11-7-6-8-12(9-11)15(2)3/h6-10,13-14H,1-5H3
InChIKeyFMOZGJVOWFNCKV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.17
Rot. Bonds6

About 1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 113297532) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID113297532
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCOC(OC)C(C)Nc1cccc(N(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-10(13(16-4)17-5)14-11-7-6-8-12(9-11)15(2)3/h6-10,13-14H,1-5H3
InChIKeyFMOZGJVOWFNCKV-UHFFFAOYSA-N
XLogP2.17
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375943
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376525
3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine
CID 115376129
3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine
CID 115375894
1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376255
1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375945
3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine
CID 114281857
3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine
CID 115376388
3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine
CID 173013272
3-[3-(dimethylamino)anilino]pentanenitrile
CID 115377658
1-N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82964058
[3-(dimethylamino)phenyl]cyanamide
CID 115377794

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine (CID 113297532) is 1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine is COC(OC)C(C)Nc1cccc(N(C)C)c1.
What is the InChIKey of 1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is FMOZGJVOWFNCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(13(16-4)17-5)14-11-7-6-8-12(9-11)15(2)3/h6-10,13-14H,1-5H3.
What are the key properties of 1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 113297532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).