1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol

C15H29NO — CID 79862796

IUPAC1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCCC1(O)C1(CN)CCCCCC1
InChIInChI=1S/C15H29NO/c1-13(2)8-7-11-15(13,17)14(12-16)9-5-3-4-6-10-14/h17H,3-12,16H2,1-2H3
InChIKeyORFAGJGAHRVSPK-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.23
Rot. Bonds2

About 1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol

1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 79862796) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol
PubChem CID79862796
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCCC1(O)C1(CN)CCCCCC1
InChIInChI=1S/C15H29NO/c1-13(2)8-7-11-15(13,17)14(12-16)9-5-3-4-6-10-14/h17H,3-12,16H2,1-2H3
InChIKeyORFAGJGAHRVSPK-UHFFFAOYSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol (CID 79862796) is 1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol is CC1(C)CCCC1(O)C1(CN)CCCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is ORFAGJGAHRVSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)8-7-11-15(13,17)14(12-16)9-5-3-4-6-10-14/h17H,3-12,16H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol?
1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cycloheptyl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79862796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).