8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol

C17H31NO3 — CID 79123696

IUPAC8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCCC1CCC(CN)(C2(O)CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C17H31NO3/c1-2-14-3-5-15(13-18,6-4-14)16(19)7-9-17(10-8-16)20-11-12-21-17/h14,19H,2-13,18H2,1H3
InChIKeyRYERZOWVBYBWLB-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.58
Rot. Bonds3

About 8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol

8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 79123696) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID79123696
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCCC1CCC(CN)(C2(O)CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C17H31NO3/c1-2-14-3-5-15(13-18,6-4-14)16(19)7-9-17(10-8-16)20-11-12-21-17/h14,19H,2-13,18H2,1H3
InChIKeyRYERZOWVBYBWLB-UHFFFAOYSA-N
XLogP2.58
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79125807
4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol
CID 79123962
1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222
8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79124643
4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
CID 79135491
3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
CID 79134939
4-[1-(aminomethyl)-4-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
CID 79125187
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclobutan-1-ol
CID 103565588
1-[1-(aminomethyl)-4-ethylcyclohexyl]-2,2-dimethylcyclohexan-1-ol
CID 79852793
4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol
CID 79126212
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol
CID 80698467
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-propan-2-ylcyclohexan-1-ol
CID 79135033

Frequently Asked Questions

What is the IUPAC name of 8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol (CID 79123696) is 8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol is CCC1CCC(CN)(C2(O)CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is RYERZOWVBYBWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-2-14-3-5-15(13-18,6-4-14)16(19)7-9-17(10-8-16)20-11-12-21-17/h14,19H,2-13,18H2,1H3.
What are the key properties of 8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol?
8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 297.44 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 79123696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).