2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol

C12H23NO — CID 130640663

IUPAC2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol
SMILESCCC1(NC2(C)CCCC2(C)O)CC1
InChIInChI=1S/C12H23NO/c1-4-12(8-9-12)13-10(2)6-5-7-11(10,3)14/h13-14H,4-9H2,1-3H3
InChIKeyJWAHSGRWSDSLES-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.21
Rot. Bonds3

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

2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol (PubChem CID 130640663) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol
PubChem CID130640663
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol
SMILESCCC1(NC2(C)CCCC2(C)O)CC1
InChIInChI=1S/C12H23NO/c1-4-12(8-9-12)13-10(2)6-5-7-11(10,3)14/h13-14H,4-9H2,1-3H3
InChIKeyJWAHSGRWSDSLES-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol (CID 130640663) is 2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol is CCC1(NC2(C)CCCC2(C)O)CC1.
What is the InChIKey of 2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol?
The InChIKey is JWAHSGRWSDSLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-12(8-9-12)13-10(2)6-5-7-11(10,3)14/h13-14H,4-9H2,1-3H3.
What are the key properties of 2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol?
2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylcyclopropyl)amino]-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 130640663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).