[(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol

C9H19NO — CID 131053696

IUPAC[(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol
SMILESCN(C)C[C@H]1[C@@H](CO)C1(C)C
InChIInChI=1S/C9H19NO/c1-9(2)7(5-10(3)4)8(9)6-11/h7-8,11H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeySGMULELXKKTLMI-JGVFFNPUSA-N
MW157.26 g/mol
LogP0.81
Rot. Bonds3

About [(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol

[(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol (PubChem CID 131053696) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol
PubChem CID131053696
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol
SMILESCN(C)C[C@H]1[C@@H](CO)C1(C)C
InChIInChI=1S/C9H19NO/c1-9(2)7(5-10(3)4)8(9)6-11/h7-8,11H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeySGMULELXKKTLMI-JGVFFNPUSA-N
XLogP0.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol?
The IUPAC name of [(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol (CID 131053696) is [(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol.
What is the SMILES notation for [(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol?
The canonical SMILES for [(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol is CN(C)C[C@H]1[C@@H](CO)C1(C)C.
What is the InChIKey of [(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol?
The InChIKey is SGMULELXKKTLMI-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2)7(5-10(3)4)8(9)6-11/h7-8,11H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of [(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol?
[(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol has a molecular weight of 157.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]methanol is sourced from PubChem (CID 131053696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).