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

C9H19NO — CID 146502695

IUPAC[(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol
SMILESCN(C)C[C@H]1CC[C@@H](CO)C1
InChIInChI=1S/C9H19NO/c1-10(2)6-8-3-4-9(5-8)7-11/h8-9,11H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyNKVGRUZQOVCIFC-DTWKUNHWSA-N
MW157.26 g/mol
LogP0.96
Rot. Bonds3

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

[(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol (PubChem CID 146502695) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol
PubChem CID146502695
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol
SMILESCN(C)C[C@H]1CC[C@@H](CO)C1
InChIInChI=1S/C9H19NO/c1-10(2)6-8-3-4-9(5-8)7-11/h8-9,11H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyNKVGRUZQOVCIFC-DTWKUNHWSA-N
XLogP0.96
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 ≤ 50.96
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]cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol (CID 146502695) is [(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol is CN(C)C[C@H]1CC[C@@H](CO)C1.
What is the InChIKey of [(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol?
The InChIKey is NKVGRUZQOVCIFC-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO/c1-10(2)6-8-3-4-9(5-8)7-11/h8-9,11H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of [(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol?
[(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol has a molecular weight of 157.26 g/mol, XLogP of 0.96, 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]cyclopentyl]methanol is sourced from PubChem (CID 146502695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).