2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol

C10H23NO2 — CID 97358418

IUPAC2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol
SMILESCCC[C@H](C)CNC(C)(CO)CO
InChIInChI=1S/C10H23NO2/c1-4-5-9(2)6-11-10(3,7-12)8-13/h9,11-13H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyVCHARUUOHGMZON-VIFPVBQESA-N
MW189.30 g/mol
LogP0.76
Rot. Bonds7

About 2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol

2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol (PubChem CID 97358418) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol
PubChem CID97358418
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol
SMILESCCC[C@H](C)CNC(C)(CO)CO
InChIInChI=1S/C10H23NO2/c1-4-5-9(2)6-11-10(3,7-12)8-13/h9,11-13H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyVCHARUUOHGMZON-VIFPVBQESA-N
XLogP0.76
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine
CID 103922999
2-methyl-2-(2-methylbutylamino)propane-1,3-diol
CID 75525332
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine
CID 43731065
2-methyl-2-(2-methylpropylamino)pentan-1-ol
CID 61054736
N-(1-methoxy-2-methylpropan-2-yl)-2-methylpentan-1-amine
CID 115906085
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol
CID 61054540
2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine
CID 91457682
2-(2-methylpentylamino)propane-1,3-diol
CID 65315712
2-methyl-2-(2-methylbutylamino)propan-1-ol
CID 43207248
2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
CID 91419201

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol (CID 97358418) is 2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol is CCC[C@H](C)CNC(C)(CO)CO.
What is the InChIKey of 2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol?
The InChIKey is VCHARUUOHGMZON-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-5-9(2)6-11-10(3,7-12)8-13/h9,11-13H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of 2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol?
2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol has a molecular weight of 189.30 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol is sourced from PubChem (CID 97358418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).