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

C14H27NO — CID 79863749

IUPAC1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCCC1(O)C1(CN)CCCCC1
InChIInChI=1S/C14H27NO/c1-12(2)7-6-10-14(12,16)13(11-15)8-4-3-5-9-13/h16H,3-11,15H2,1-2H3
InChIKeyBJUBNHATCQGWJB-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.84
Rot. Bonds2

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

1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 79863749) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopentan-1-ol
PubChem CID79863749
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCCC1(O)C1(CN)CCCCC1
InChIInChI=1S/C14H27NO/c1-12(2)7-6-10-14(12,16)13(11-15)8-4-3-5-9-13/h16H,3-11,15H2,1-2H3
InChIKeyBJUBNHATCQGWJB-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopentan-1-ol (CID 79863749) is 1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopentan-1-ol is CC1(C)CCCC1(O)C1(CN)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is BJUBNHATCQGWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)7-6-10-14(12,16)13(11-15)8-4-3-5-9-13/h16H,3-11,15H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopentan-1-ol?
1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79863749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).