1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol

C18H35NO — CID 80603364

IUPAC1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(C2(CN)CCCCCCC2)CC1
InChIInChI=1S/C18H35NO/c1-2-8-16-9-13-18(20,14-10-16)17(15-19)11-6-4-3-5-7-12-17/h16,20H,2-15,19H2,1H3
InChIKeyPOAVUTUJVRIZGD-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.40
Rot. Bonds4

About 1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol

1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol (PubChem CID 80603364) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol
PubChem CID80603364
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(C2(CN)CCCCCCC2)CC1
InChIInChI=1S/C18H35NO/c1-2-8-16-9-13-18(20,14-10-16)17(15-19)11-6-4-3-5-7-12-17/h16,20H,2-15,19H2,1H3
InChIKeyPOAVUTUJVRIZGD-UHFFFAOYSA-N
XLogP4.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-3-methylcyclohexyl]-4-propylcyclohexan-1-ol
CID 79126743
1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol
CID 79128311
1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222
4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
CID 79135491
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol
CID 79123452
1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol
CID 79125197
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propylcyclohexan-1-ol
CID 79124761
1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol
CID 79126224
2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol
CID 79124965
3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol
CID 81467761

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol (CID 80603364) is 1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)(C2(CN)CCCCCCC2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol?
The InChIKey is POAVUTUJVRIZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-2-8-16-9-13-18(20,14-10-16)17(15-19)11-6-4-3-5-7-12-17/h16,20H,2-15,19H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol?
1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol has a molecular weight of 281.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 80603364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).