1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol

C18H35NO — CID 79126224

IUPAC1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol
SMILESCCCC1CCC(CN)(C2(O)CCCCC2CC)CC1
InChIInChI=1S/C18H35NO/c1-3-7-15-9-12-17(14-19,13-10-15)18(20)11-6-5-8-16(18)4-2/h15-16,20H,3-14,19H2,1-2H3
InChIKeyJGPOBPVZZGDOMF-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.25
Rot. Bonds5

About 1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol

1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol (PubChem CID 79126224) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol
PubChem CID79126224
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol
SMILESCCCC1CCC(CN)(C2(O)CCCCC2CC)CC1
InChIInChI=1S/C18H35NO/c1-3-7-15-9-12-17(14-19,13-10-15)18(20)11-6-5-8-16(18)4-2/h15-16,20H,3-14,19H2,1-2H3
InChIKeyJGPOBPVZZGDOMF-UHFFFAOYSA-N
XLogP4.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-1-hydroxycyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 79132964
1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol
CID 80603364
1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol
CID 79128311
1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol
CID 79123452
4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
CID 79135491
1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol
CID 79125197
1-[1-(aminomethyl)-4-ethylcyclohexyl]-2,2-dimethylcyclohexan-1-ol
CID 79852793
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-propylcyclohexan-1-ol
CID 79126743
1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol
CID 79852268
2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol
CID 79124965
3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol
CID 81467761
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol (CID 79126224) is 1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol is CCCC1CCC(CN)(C2(O)CCCCC2CC)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol?
The InChIKey is JGPOBPVZZGDOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-7-15-9-12-17(14-19,13-10-15)18(20)11-6-5-8-16(18)4-2/h15-16,20H,3-14,19H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol?
1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol has a molecular weight of 281.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol is sourced from PubChem (CID 79126224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).