1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol

C7H18N2O — CID 130729630

IUPAC1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)[C@@H](C)CN
InChIInChI=1S/C7H18N2O/c1-6(4-8)9(3)5-7(2)10/h6-7,10H,4-5,8H2,1-3H3/t6-,7?/m0/s1
InChIKeySIMZWYLBRSMZKG-PKPIPKONSA-N
MW146.23 g/mol
LogP-0.35
Rot. Bonds4

About 1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol

1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol (PubChem CID 130729630) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol
PubChem CID130729630
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)[C@@H](C)CN
InChIInChI=1S/C7H18N2O/c1-6(4-8)9(3)5-7(2)10/h6-7,10H,4-5,8H2,1-3H3/t6-,7?/m0/s1
InChIKeySIMZWYLBRSMZKG-PKPIPKONSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol (CID 130729630) is 1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol is CC(O)CN(C)[C@@H](C)CN.
What is the InChIKey of 1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol?
The InChIKey is SIMZWYLBRSMZKG-PKPIPKONSA-N. The full InChI is InChI=1S/C7H18N2O/c1-6(4-8)9(3)5-7(2)10/h6-7,10H,4-5,8H2,1-3H3/t6-,7?/m0/s1.
What are the key properties of 1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol?
1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol has a molecular weight of 146.23 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol is sourced from PubChem (CID 130729630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).