(2S)-2-(propan-2-ylamino)propan-1-ol

C6H15NO — CID 14387473

IUPAC(2S)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)N[C@@H](C)CO
InChIInChI=1S/C6H15NO/c1-5(2)7-6(3)4-8/h5-8H,4H2,1-3H3/t6-/m0/s1
InChIKeyVGZJOXPMODLELN-LURJTMIESA-N
MW117.19 g/mol
LogP0.37
Rot. Bonds3

About (2S)-2-(propan-2-ylamino)propan-1-ol

(2S)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 14387473) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (2S)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(propan-2-ylamino)propan-1-ol
PubChem CID14387473
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(2S)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)N[C@@H](C)CO
InChIInChI=1S/C6H15NO/c1-5(2)7-6(3)4-8/h5-8H,4H2,1-3H3/t6-/m0/s1
InChIKeyVGZJOXPMODLELN-LURJTMIESA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Ethylamino)ethanol
CID 8072
2-(tert-Butylamino)ethanol
CID 78361
2-(Isopropylamino)ethanol
CID 7994
Butylethanolamine
CID 8132
2-(Propylamino)ethanol
CID 85382
2-[(1-Methylpropyl)amino]ethanol
CID 98429
2-Methyl-2-methylamino-1-propanol
CID 422780
1-[(Propan-2-yl)amino]propan-2-ol
CID 276926
2-(Ethylamino)-2-methylpropan-1-ol
CID 15105174
2-Isopropylaminoethanol hydrochloride
CID 41098
2-((2-Amino-1-methylethyl)amino)ethanol
CID 61487
2-(Methylamino)-1-butanol
CID 119693

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of (2S)-2-(propan-2-ylamino)propan-1-ol (CID 14387473) is (2S)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(propan-2-ylamino)propan-1-ol is CC(C)N[C@@H](C)CO.
What is the InChIKey of (2S)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is VGZJOXPMODLELN-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NO/c1-5(2)7-6(3)4-8/h5-8H,4H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-2-(propan-2-ylamino)propan-1-ol?
(2S)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 117.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 14387473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).