5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol

C14H27NO — CID 79855583

IUPAC5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCCCN(CC1CCC(C)(C)C1O)C1CC1
InChIInChI=1S/C14H27NO/c1-4-9-15(12-5-6-12)10-11-7-8-14(2,3)13(11)16/h11-13,16H,4-10H2,1-3H3
InChIKeyQBSVTOQGGOJORG-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds5

About 5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol

5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 79855583) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
PubChem CID79855583
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCCCN(CC1CCC(C)(C)C1O)C1CC1
InChIInChI=1S/C14H27NO/c1-4-9-15(12-5-6-12)10-11-7-8-14(2,3)13(11)16/h11-13,16H,4-10H2,1-3H3
InChIKeyQBSVTOQGGOJORG-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol (CID 79855583) is 5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol is CCCN(CC1CCC(C)(C)C1O)C1CC1.
What is the InChIKey of 5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is QBSVTOQGGOJORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-9-15(12-5-6-12)10-11-7-8-14(2,3)13(11)16/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79855583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).