1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol

C15H29NO — CID 80698467

IUPAC1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol
SMILESCCC1CCC(CN)(C2(O)CCC(C)(C)C2)C1
InChIInChI=1S/C15H29NO/c1-4-12-5-6-14(9-12,11-16)15(17)8-7-13(2,3)10-15/h12,17H,4-11,16H2,1-3H3
InChIKeyQOOJLJCZSXCHJG-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.08
Rot. Bonds3

About 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol

1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol (PubChem CID 80698467) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol
PubChem CID80698467
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol
SMILESCCC1CCC(CN)(C2(O)CCC(C)(C)C2)C1
InChIInChI=1S/C15H29NO/c1-4-12-5-6-14(9-12,11-16)15(17)8-7-13(2,3)10-15/h12,17H,4-11,16H2,1-3H3
InChIKeyQOOJLJCZSXCHJG-UHFFFAOYSA-N
XLogP3.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol (CID 80698467) is 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol is CCC1CCC(CN)(C2(O)CCC(C)(C)C2)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol?
The InChIKey is QOOJLJCZSXCHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-12-5-6-14(9-12,11-16)15(17)8-7-13(2,3)10-15/h12,17H,4-11,16H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol?
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 80698467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).