(2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol

C10H24N2O2 — CID 61142642

IUPAC(2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol
SMILESCN(C)CC(C)(C)CNC[C@H](O)CO
InChIInChI=1S/C10H24N2O2/c1-10(2,8-12(3)4)7-11-5-9(14)6-13/h9,11,13-14H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyINFDHKXLMDRYIG-VIFPVBQESA-N
MW204.31 g/mol
LogP-0.48
Rot. Bonds7

About (2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol

(2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol (PubChem CID 61142642) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is (2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol
PubChem CID61142642
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name(2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol
SMILESCN(C)CC(C)(C)CNC[C@H](O)CO
InChIInChI=1S/C10H24N2O2/c1-10(2,8-12(3)4)7-11-5-9(14)6-13/h9,11,13-14H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyINFDHKXLMDRYIG-VIFPVBQESA-N
XLogP-0.48
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol
CID 76916895
1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
CID 60632580
2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid
CID 64583232
5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106147183
N,N,2,2-tetramethyl-N'-[(2S)-2-methylpentyl]propane-1,3-diamine
CID 28613575
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
N'-[2-(dimethylamino)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28572535
3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol
CID 107151993
1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 106147817
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572507
1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol
CID 114150038
N-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 106437308

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol?
The IUPAC name of (2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol (CID 61142642) is (2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol is CN(C)CC(C)(C)CNC[C@H](O)CO.
What is the InChIKey of (2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol?
The InChIKey is INFDHKXLMDRYIG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H24N2O2/c1-10(2,8-12(3)4)7-11-5-9(14)6-13/h9,11,13-14H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol?
(2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol has a molecular weight of 204.31 g/mol, XLogP of -0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol is sourced from PubChem (CID 61142642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).