[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol

C7H15NO — CID 90678890

IUPAC[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol
SMILESCN(C)C[C@H]1C[C@@H]1CO
InChIInChI=1S/C7H15NO/c1-8(2)4-6-3-7(6)5-9/h6-7,9H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyBIHOJSBBHKEQAL-RNFRBKRXSA-N
MW129.20 g/mol
LogP0.18
Rot. Bonds3

About [(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol

[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol (PubChem CID 90678890) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is [(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol
PubChem CID90678890
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol
SMILESCN(C)C[C@H]1C[C@@H]1CO
InChIInChI=1S/C7H15NO/c1-8(2)4-6-3-7(6)5-9/h6-7,9H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyBIHOJSBBHKEQAL-RNFRBKRXSA-N
XLogP0.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol (CID 90678890) is [(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol is CN(C)C[C@H]1C[C@@H]1CO.
What is the InChIKey of [(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol?
The InChIKey is BIHOJSBBHKEQAL-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H15NO/c1-8(2)4-6-3-7(6)5-9/h6-7,9H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of [(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol?
[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol has a molecular weight of 129.20 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 90678890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).