3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol

C10H23NO3 — CID 107151993

IUPAC3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol
SMILESCC(C)(C)CC(O)CNCC(O)CO
InChIInChI=1S/C10H23NO3/c1-10(2,3)4-8(13)5-11-6-9(14)7-12/h8-9,11-14H,4-7H2,1-3H3
InChIKeyPYJTVSCBMBHEBF-UHFFFAOYSA-N
MW205.30 g/mol
LogP-0.27
Rot. Bonds6

About 3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol

3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol (PubChem CID 107151993) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol
PubChem CID107151993
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol
SMILESCC(C)(C)CC(O)CNCC(O)CO
InChIInChI=1S/C10H23NO3/c1-10(2,3)4-8(13)5-11-6-9(14)7-12/h8-9,11-14H,4-7H2,1-3H3
InChIKeyPYJTVSCBMBHEBF-UHFFFAOYSA-N
XLogP-0.27
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
CID 65036137
1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol
CID 107152038
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
CID 107151910
3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol
CID 76916895
3-(2,2-dimethoxyethylamino)propane-1,2-diol
CID 60650308
3-(2-methylbutylamino)propane-1,2-diol
CID 58586490
1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
CID 107152057
N-ethyl-2-[(2-hydroxy-4,4-dimethylpentyl)amino]acetamide
CID 107152097
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 103699609
3-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-phenylpropanoic acid
CID 107152190
(2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol
CID 61142642

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol?
The IUPAC name of 3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol (CID 107151993) is 3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol is CC(C)(C)CC(O)CNCC(O)CO.
What is the InChIKey of 3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol?
The InChIKey is PYJTVSCBMBHEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-10(2,3)4-8(13)5-11-6-9(14)7-12/h8-9,11-14H,4-7H2,1-3H3.
What are the key properties of 3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol?
3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol has a molecular weight of 205.30 g/mol, XLogP of -0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol is sourced from PubChem (CID 107151993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).