methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate

C14H28N2O3 — CID 115533614

IUPACmethyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C1CCCCC1CN
InChIInChI=1S/C14H28N2O3/c1-18-10-9-16(8-7-14(17)19-2)13-6-4-3-5-12(13)11-15/h12-13H,3-11,15H2,1-2H3
InChIKeyOELAEZRWOOJICF-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.02
Rot. Bonds8

About methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate

methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate (PubChem CID 115533614) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate
PubChem CID115533614
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C1CCCCC1CN
InChIInChI=1S/C14H28N2O3/c1-18-10-9-16(8-7-14(17)19-2)13-6-4-3-5-12(13)11-15/h12-13H,3-11,15H2,1-2H3
InChIKeyOELAEZRWOOJICF-UHFFFAOYSA-N
XLogP1.02
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate with MolForge

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Related Compounds

2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
CID 43588483
2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine
CID 43588484
methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate
CID 63382692
methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate
CID 113330775
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine
CID 54985662
methyl 2-[[2-(aminomethyl)cycloheptyl]-propylamino]acetate
CID 63404288
methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate
CID 63382843
2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine
CID 82965659
methyl 3-[[2-(aminomethyl)cyclohexyl]methoxy]propanoate
CID 106940266
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine
CID 62984804
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclopentan-1-amine
CID 82948083
2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine
CID 103340388

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate (CID 115533614) is methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C1CCCCC1CN.
What is the InChIKey of methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate?
The InChIKey is OELAEZRWOOJICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-18-10-9-16(8-7-14(17)19-2)13-6-4-3-5-12(13)11-15/h12-13H,3-11,15H2,1-2H3.
What are the key properties of methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate?
methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate has a molecular weight of 272.39 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115533614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).