2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol

C10H21NO2 — CID 115724193

IUPAC2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol
SMILESCC(C)C(NC(CO)CO)C1CC1
InChIInChI=1S/C10H21NO2/c1-7(2)10(8-3-4-8)11-9(5-12)6-13/h7-13H,3-6H2,1-2H3
InChIKeyRQUSZCBQLZWKKD-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.36
Rot. Bonds6

About 2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol

2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol (PubChem CID 115724193) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol
PubChem CID115724193
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol
SMILESCC(C)C(NC(CO)CO)C1CC1
InChIInChI=1S/C10H21NO2/c1-7(2)10(8-3-4-8)11-9(5-12)6-13/h7-13H,3-6H2,1-2H3
InChIKeyRQUSZCBQLZWKKD-UHFFFAOYSA-N
XLogP0.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1-cyclopropyl-2-methylpropyl)amino]butan-1-ol
CID 103922421
(1R)-1-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 166781304
2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol
CID 115895052
(1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 59965988
(2R)-2-(1-cyclopentylethylamino)butan-1-ol
CID 103922643
2-(1-cyclopropylpropan-2-ylamino)butan-1-ol
CID 115705322
2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 67102510
3-(dicyclopropylmethylamino)-2-methylbutan-1-ol
CID 115722745
2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol
CID 115712084
2-[(1-cyclopropyl-2-methylpropyl)amino]-N-methylacetamide
CID 115706840
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol
CID 61246859
2-[(1-cyclopropyl-2-methylpropyl)amino]-N,N-dimethylacetamide
CID 115927395

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol?
The IUPAC name of 2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol (CID 115724193) is 2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol is CC(C)C(NC(CO)CO)C1CC1.
What is the InChIKey of 2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol?
The InChIKey is RQUSZCBQLZWKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)10(8-3-4-8)11-9(5-12)6-13/h7-13H,3-6H2,1-2H3.
What are the key properties of 2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol?
2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol has a molecular weight of 187.28 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyl-2-methylpropyl)amino]propane-1,3-diol is sourced from PubChem (CID 115724193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).