1-(dimethylamino)propan-2-ol;ethane-1,2-diamine

C7H21N3O — CID 174810904

IUPAC1-(dimethylamino)propan-2-ol;ethane-1,2-diamine
SMILESCC(O)CN(C)C.NCCN
InChIInChI=1S/C5H13NO.C2H8N2/c1-5(7)4-6(2)3;3-1-2-4/h5,7H,4H2,1-3H3;1-4H2
InChIKeyVAQGLQKYDZRVTR-UHFFFAOYSA-N
MW163.26 g/mol
LogP-1.17
Rot. Bonds3

About 1-(dimethylamino)propan-2-ol;ethane-1,2-diamine

1-(dimethylamino)propan-2-ol;ethane-1,2-diamine (PubChem CID 174810904) has the molecular formula C7H21N3O and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(dimethylamino)propan-2-ol;ethane-1,2-diamine.

Molecular Properties

Compound Name1-(dimethylamino)propan-2-ol;ethane-1,2-diamine
PubChem CID174810904
Molecular FormulaC7H21N3O
Molecular Weight163.26 g/mol
Exact Mass163.17
IUPAC Name1-(dimethylamino)propan-2-ol;ethane-1,2-diamine
SMILESCC(O)CN(C)C.NCCN
InChIInChI=1S/C5H13NO.C2H8N2/c1-5(7)4-6(2)3;3-1-2-4/h5,7H,4H2,1-3H3;1-4H2
InChIKeyVAQGLQKYDZRVTR-UHFFFAOYSA-N
XLogP-1.17
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethane-1,2-diamine;tetrakis(propane-1,2-diol)
CID 19100522
1-[bis(trideuteriomethyl)amino]propan-2-ol
CID 121487893
4-amino-1-(dimethylamino)butan-2-ol;hydrochloride
CID 83967321
(2S)-1-[amino(methyl)amino]propan-2-ol
CID 124512357
1-[bis(3-aminopropyl)amino]propan-2-ol
CID 88627199
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol
CID 130729630
1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19893086
(2R)-1-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 106932409
1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
CID 174950006
1-(dimethylamino)octane-2,7-diol
CID 123214691
4-[2-aminoethyl(methyl)amino]butan-2-ol
CID 86811494

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)propan-2-ol;ethane-1,2-diamine?
The IUPAC name of 1-(dimethylamino)propan-2-ol;ethane-1,2-diamine (CID 174810904) is 1-(dimethylamino)propan-2-ol;ethane-1,2-diamine.
What is the SMILES notation for 1-(dimethylamino)propan-2-ol;ethane-1,2-diamine?
The canonical SMILES for 1-(dimethylamino)propan-2-ol;ethane-1,2-diamine is CC(O)CN(C)C.NCCN.
What is the InChIKey of 1-(dimethylamino)propan-2-ol;ethane-1,2-diamine?
The InChIKey is VAQGLQKYDZRVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.C2H8N2/c1-5(7)4-6(2)3;3-1-2-4/h5,7H,4H2,1-3H3;1-4H2.
What are the key properties of 1-(dimethylamino)propan-2-ol;ethane-1,2-diamine?
1-(dimethylamino)propan-2-ol;ethane-1,2-diamine has a molecular weight of 163.26 g/mol, XLogP of -1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propan-2-ol;ethane-1,2-diamine is sourced from PubChem (CID 174810904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).