4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol

C17H33NO2 — CID 79125368

IUPAC4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
SMILESCCC1CCCC(CN)(C2(O)CCOC(C(C)C)C2)C1
InChIInChI=1S/C17H33NO2/c1-4-14-6-5-7-16(10-14,12-18)17(19)8-9-20-15(11-17)13(2)3/h13-15,19H,4-12,18H2,1-3H3
InChIKeyXJCJQKAJTAWQSI-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.10
Rot. Bonds4

About 4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol

4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol (PubChem CID 79125368) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
PubChem CID79125368
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
SMILESCCC1CCCC(CN)(C2(O)CCOC(C(C)C)C2)C1
InChIInChI=1S/C17H33NO2/c1-4-14-6-5-7-16(10-14,12-18)17(19)8-9-20-15(11-17)13(2)3/h13-15,19H,4-12,18H2,1-3H3
InChIKeyXJCJQKAJTAWQSI-UHFFFAOYSA-N
XLogP3.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(aminomethyl)-4-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
CID 79125187
4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol
CID 79124984
3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol
CID 79135585
3-ethyl-1-(4-hydroxy-2-propan-2-yloxan-4-yl)cyclohexane-1-carbonitrile
CID 79132162
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-propan-2-ylcyclohexan-1-ol
CID 79135033
4-(cyclopentylmethyl)-2-propan-2-yloxan-4-ol
CID 65148777
4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol
CID 79126212
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclopentan-1-ol
CID 79126426
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-methylcycloheptan-1-ol
CID 79124842
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclobutan-1-ol
CID 103565588

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol?
The IUPAC name of 4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol (CID 79125368) is 4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol is CCC1CCCC(CN)(C2(O)CCOC(C(C)C)C2)C1.
What is the InChIKey of 4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol?
The InChIKey is XJCJQKAJTAWQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-14-6-5-7-16(10-14,12-18)17(19)8-9-20-15(11-17)13(2)3/h13-15,19H,4-12,18H2,1-3H3.
What are the key properties of 4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol?
4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol has a molecular weight of 283.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol is sourced from PubChem (CID 79125368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).