(1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol

C8H17NO — CID 118458672

IUPAC(1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol
SMILESCN[C@@H](C1CC1)C(C)(C)O
InChIInChI=1S/C8H17NO/c1-8(2,10)7(9-3)6-4-5-6/h6-7,9-10H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyDWHSDYCJCACSOM-ZETCQYMHSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds3

About (1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol

(1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol (PubChem CID 118458672) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol
PubChem CID118458672
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol
SMILESCN[C@@H](C1CC1)C(C)(C)O
InChIInChI=1S/C8H17NO/c1-8(2,10)7(9-3)6-4-5-6/h6-7,9-10H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyDWHSDYCJCACSOM-ZETCQYMHSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol?
The IUPAC name of (1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol (CID 118458672) is (1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol.
What is the SMILES notation for (1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol?
The canonical SMILES for (1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol is CN[C@@H](C1CC1)C(C)(C)O.
What is the InChIKey of (1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol?
The InChIKey is DWHSDYCJCACSOM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,10)7(9-3)6-4-5-6/h6-7,9-10H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol?
(1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol is sourced from PubChem (CID 118458672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).