(1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol

C9H19NO — CID 130948100

IUPAC(1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol
SMILESC[C@@H]1C[C@@H](CN(C)C)C[C@H]1O
InChIInChI=1S/C9H19NO/c1-7-4-8(5-9(7)11)6-10(2)3/h7-9,11H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyPKEKLGIFZDKXQP-IWSPIJDZSA-N
MW157.26 g/mol
LogP0.95
Rot. Bonds2

About (1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol

(1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol (PubChem CID 130948100) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol
PubChem CID130948100
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol
SMILESC[C@@H]1C[C@@H](CN(C)C)C[C@H]1O
InChIInChI=1S/C9H19NO/c1-7-4-8(5-9(7)11)6-10(2)3/h7-9,11H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyPKEKLGIFZDKXQP-IWSPIJDZSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol?
The IUPAC name of (1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol (CID 130948100) is (1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol.
What is the SMILES notation for (1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol?
The canonical SMILES for (1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol is C[C@@H]1C[C@@H](CN(C)C)C[C@H]1O.
What is the InChIKey of (1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol?
The InChIKey is PKEKLGIFZDKXQP-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-4-8(5-9(7)11)6-10(2)3/h7-9,11H,4-6H2,1-3H3/t7-,8-,9-/m1/s1.
What are the key properties of (1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol?
(1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopentan-1-ol is sourced from PubChem (CID 130948100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).