3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol

C11H23NO — CID 89252140

IUPAC3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol
SMILESCC1CCC(C)C1N(C)CCCO
InChIInChI=1S/C11H23NO/c1-9-5-6-10(2)11(9)12(3)7-4-8-13/h9-11,13H,4-8H2,1-3H3
InChIKeyKVKNAWHDDQFPMW-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.74
Rot. Bonds4

About 3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol

3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol (PubChem CID 89252140) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol
PubChem CID89252140
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol
SMILESCC1CCC(C)C1N(C)CCCO
InChIInChI=1S/C11H23NO/c1-9-5-6-10(2)11(9)12(3)7-4-8-13/h9-11,13H,4-8H2,1-3H3
InChIKeyKVKNAWHDDQFPMW-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol?
The IUPAC name of 3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol (CID 89252140) is 3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol?
The canonical SMILES for 3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol is CC1CCC(C)C1N(C)CCCO.
What is the InChIKey of 3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol?
The InChIKey is KVKNAWHDDQFPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9-5-6-10(2)11(9)12(3)7-4-8-13/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol?
3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol is sourced from PubChem (CID 89252140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).