2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol

C12H23NO — CID 130631636

IUPAC2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol
SMILESCCN(C1CC1)C1(C)CCCC1(C)O
InChIInChI=1S/C12H23NO/c1-4-13(10-6-7-10)11(2)8-5-9-12(11,3)14/h10,14H,4-9H2,1-3H3
InChIKeyJIBVFTWGVFIYQL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.16
Rot. Bonds3

About 2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol

2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol (PubChem CID 130631636) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol
PubChem CID130631636
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol
SMILESCCN(C1CC1)C1(C)CCCC1(C)O
InChIInChI=1S/C12H23NO/c1-4-13(10-6-7-10)11(2)8-5-9-12(11,3)14/h10,14H,4-9H2,1-3H3
InChIKeyJIBVFTWGVFIYQL-UHFFFAOYSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol (CID 130631636) is 2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol is CCN(C1CC1)C1(C)CCCC1(C)O.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol?
The InChIKey is JIBVFTWGVFIYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-13(10-6-7-10)11(2)8-5-9-12(11,3)14/h10,14H,4-9H2,1-3H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol?
2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 130631636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).