1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol

C14H29NO2 — CID 79586556

IUPAC1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol
SMILESCC(C)(C)CCOCCC1CCCC1(O)CN
InChIInChI=1S/C14H29NO2/c1-13(2,3)8-10-17-9-6-12-5-4-7-14(12,16)11-15/h12,16H,4-11,15H2,1-3H3
InChIKeyRFOFCGVRHPBCRZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.32
Rot. Bonds6

About 1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol (PubChem CID 79586556) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol
PubChem CID79586556
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol
SMILESCC(C)(C)CCOCCC1CCCC1(O)CN
InChIInChI=1S/C14H29NO2/c1-13(2,3)8-10-17-9-6-12-5-4-7-14(12,16)11-15/h12,16H,4-11,15H2,1-3H3
InChIKeyRFOFCGVRHPBCRZ-UHFFFAOYSA-N
XLogP2.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol (CID 79586556) is 1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol is CC(C)(C)CCOCCC1CCCC1(O)CN.
What is the InChIKey of 1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol?
The InChIKey is RFOFCGVRHPBCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2,3)8-10-17-9-6-12-5-4-7-14(12,16)11-15/h12,16H,4-11,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79586556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).