4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol

C16H31NO2 — CID 79126212

IUPAC4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol
SMILESCCC1CCC(CN)(C2(O)CCOC(C)(CC)C2)C1
InChIInChI=1S/C16H31NO2/c1-4-13-6-7-15(10-13,12-17)16(18)8-9-19-14(3,5-2)11-16/h13,18H,4-12,17H2,1-3H3
InChIKeyHTZGBVDJIVKKLW-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.85
Rot. Bonds4

About 4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol

4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol (PubChem CID 79126212) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol
PubChem CID79126212
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol
SMILESCCC1CCC(CN)(C2(O)CCOC(C)(CC)C2)C1
InChIInChI=1S/C16H31NO2/c1-4-13-6-7-15(10-13,12-17)16(18)8-9-19-14(3,5-2)11-16/h13,18H,4-12,17H2,1-3H3
InChIKeyHTZGBVDJIVKKLW-UHFFFAOYSA-N
XLogP2.85
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol
CID 80698467
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclohexan-1-ol
CID 79125562
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclobutan-1-ol
CID 103565588
3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol
CID 79135585
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3,5-trimethylcyclohexan-1-ol
CID 79129042
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclopentan-1-ol
CID 79126426
1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol
CID 79852268
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-propan-2-ylcyclohexan-1-ol
CID 79135033
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-methylcycloheptan-1-ol
CID 79124842
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 79123952

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol?
The IUPAC name of 4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol (CID 79126212) is 4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol is CCC1CCC(CN)(C2(O)CCOC(C)(CC)C2)C1.
What is the InChIKey of 4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol?
The InChIKey is HTZGBVDJIVKKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-13-6-7-15(10-13,12-17)16(18)8-9-19-14(3,5-2)11-16/h13,18H,4-12,17H2,1-3H3.
What are the key properties of 4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol?
4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol has a molecular weight of 269.43 g/mol, XLogP of 2.85, 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-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol is sourced from PubChem (CID 79126212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).