ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate

C15H29NO3 — CID 83036005

IUPACethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate
SMILESCCCC(OC1(CN)CCC(C)CC1)C(=O)OCC
InChIInChI=1S/C15H29NO3/c1-4-6-13(14(17)18-5-2)19-15(11-16)9-7-12(3)8-10-15/h12-13H,4-11,16H2,1-3H3
InChIKeyMHOHXZBDXQDGRF-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.64
Rot. Bonds7

About ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate

ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate (PubChem CID 83036005) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate.

Molecular Properties

Compound Nameethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate
PubChem CID83036005
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate
SMILESCCCC(OC1(CN)CCC(C)CC1)C(=O)OCC
InChIInChI=1S/C15H29NO3/c1-4-6-13(14(17)18-5-2)19-15(11-16)9-7-12(3)8-10-15/h12-13H,4-11,16H2,1-3H3
InChIKeyMHOHXZBDXQDGRF-UHFFFAOYSA-N
XLogP2.64
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypentanoate
CID 83036421
ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate
CID 65050515
ethyl 2-[1-(aminomethyl)-4-ethylcyclohexyl]oxybutanoate
CID 65052800
(3-methyl-1-pentan-2-yloxycyclopentyl)methanamine
CID 107895575
ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate
CID 65052370
[4-methyl-1-(4-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62107560
ethyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoate
CID 65052924
2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65051160
ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate
CID 83041957
ethyl 2-piperidin-4-yloxypentanoate
CID 106939245
2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide
CID 65052713
2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid
CID 65050864

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate?
The IUPAC name of ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate (CID 83036005) is ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate.
What is the SMILES notation for ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate?
The canonical SMILES for ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate is CCCC(OC1(CN)CCC(C)CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate?
The InChIKey is MHOHXZBDXQDGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-6-13(14(17)18-5-2)19-15(11-16)9-7-12(3)8-10-15/h12-13H,4-11,16H2,1-3H3.
What are the key properties of ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate?
ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate has a molecular weight of 271.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate is sourced from PubChem (CID 83036005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).