methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate

C15H30N2O2 — CID 63404331

IUPACmethyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C1CC(CC)CCC1CN
InChIInChI=1S/C15H30N2O2/c1-4-8-17(11-15(18)19-3)14-9-12(5-2)6-7-13(14)10-16/h12-14H,4-11,16H2,1-3H3
InChIKeyWIUOFDFCHDRONA-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.03
Rot. Bonds7

About methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate

methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate (PubChem CID 63404331) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate
PubChem CID63404331
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C1CC(CC)CCC1CN
InChIInChI=1S/C15H30N2O2/c1-4-8-17(11-15(18)19-3)14-9-12(5-2)6-7-13(14)10-16/h12-14H,4-11,16H2,1-3H3
InChIKeyWIUOFDFCHDRONA-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(aminomethyl)cycloheptyl]-propylamino]acetate
CID 63404288
2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine
CID 43478976
2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
CID 43293551
ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate
CID 63404510
2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide
CID 54985135
2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine
CID 43588332
2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide
CID 61453015
2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol
CID 61424771
3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide
CID 106914850
2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61427073
methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate
CID 63382692
methyl 3-[2-(aminomethyl)-5-ethylcyclohexyl]sulfonylpropanoate
CID 64697016

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate (CID 63404331) is methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate is CCCN(CC(=O)OC)C1CC(CC)CCC1CN.
What is the InChIKey of methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate?
The InChIKey is WIUOFDFCHDRONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-8-17(11-15(18)19-3)14-9-12(5-2)6-7-13(14)10-16/h12-14H,4-11,16H2,1-3H3.
What are the key properties of methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate?
methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate has a molecular weight of 270.42 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate is sourced from PubChem (CID 63404331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).