1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol

C18H33NO — CID 80603544

IUPAC1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol
SMILESNCC1(C2(O)CCCC(C3CC3)C2)CCCCCCC1
InChIInChI=1S/C18H33NO/c19-14-17(10-4-2-1-3-5-11-17)18(20)12-6-7-16(13-18)15-8-9-15/h15-16,20H,1-14,19H2
InChIKeyJENLZBGBTIDSIR-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.01
Rot. Bonds3

About 1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol

1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol (PubChem CID 80603544) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol
PubChem CID80603544
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol
SMILESNCC1(C2(O)CCCC(C3CC3)C2)CCCCCCC1
InChIInChI=1S/C18H33NO/c19-14-17(10-4-2-1-3-5-11-17)18(20)12-6-7-16(13-18)15-8-9-15/h15-16,20H,1-14,19H2
InChIKeyJENLZBGBTIDSIR-UHFFFAOYSA-N
XLogP4.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol
CID 79126430
1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol
CID 79125197
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol
CID 79125376
1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450682
1-[1-(aminomethyl)-3-methylcyclopentyl]cycloheptan-1-ol
CID 79128862
1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol
CID 80610748
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]cycloheptan-1-ol
CID 79127542
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-cyclopropylcyclohexan-1-ol
CID 79125223
1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
CID 79124196

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol (CID 80603544) is 1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol is NCC1(C2(O)CCCC(C3CC3)C2)CCCCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol?
The InChIKey is JENLZBGBTIDSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c19-14-17(10-4-2-1-3-5-11-17)18(20)12-6-7-16(13-18)15-8-9-15/h15-16,20H,1-14,19H2.
What are the key properties of 1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol?
1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol has a molecular weight of 279.47 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol is sourced from PubChem (CID 80603544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).