1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol

C12H28N2O2 — CID 79661527

IUPAC1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol
SMILESCCCN(CC(O)COC)CC(C)(C)CN
InChIInChI=1S/C12H28N2O2/c1-5-6-14(7-11(15)8-16-4)10-12(2,3)9-13/h11,15H,5-10,13H2,1-4H3
InChIKeyXLWGQPQGILJEDQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.69
Rot. Bonds9

About 1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol

1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol (PubChem CID 79661527) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol
PubChem CID79661527
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol
SMILESCCCN(CC(O)COC)CC(C)(C)CN
InChIInChI=1S/C12H28N2O2/c1-5-6-14(7-11(15)8-16-4)10-12(2,3)9-13/h11,15H,5-10,13H2,1-4H3
InChIKeyXLWGQPQGILJEDQ-UHFFFAOYSA-N
XLogP0.69
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol
CID 82849978
3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide
CID 79661269
1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol
CID 123595558
1-[2-(dimethylamino)ethyl-propylamino]-3-methoxypropan-2-ol
CID 63929215
1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol
CID 62270239
1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol
CID 90250583
2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine
CID 114473392
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine
CID 62260121
N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661692
N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667971
1-[bis(2-phosphanyloxyethyl)amino]-3-methoxypropan-2-ol
CID 54197886
N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79662145

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol (CID 79661527) is 1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol is CCCN(CC(O)COC)CC(C)(C)CN.
What is the InChIKey of 1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol?
The InChIKey is XLWGQPQGILJEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-5-6-14(7-11(15)8-16-4)10-12(2,3)9-13/h11,15H,5-10,13H2,1-4H3.
What are the key properties of 1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol?
1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol has a molecular weight of 232.37 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 79661527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).