ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate

C17H34N2O2 — CID 79117513

IUPACethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate
SMILESCCCN(CCCCCC(=O)OCC)C1CCC(N)CC1
InChIInChI=1S/C17H34N2O2/c1-3-13-19(16-11-9-15(18)10-12-16)14-7-5-6-8-17(20)21-4-2/h15-16H,3-14,18H2,1-2H3
InChIKeyINMIXOYDORNUFC-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.09
Rot. Bonds10

About ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate

ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate (PubChem CID 79117513) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate.

Molecular Properties

Compound Nameethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate
PubChem CID79117513
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate
SMILESCCCN(CCCCCC(=O)OCC)C1CCC(N)CC1
InChIInChI=1S/C17H34N2O2/c1-3-13-19(16-11-9-15(18)10-12-16)14-7-5-6-8-17(20)21-4-2/h15-16H,3-14,18H2,1-2H3
InChIKeyINMIXOYDORNUFC-UHFFFAOYSA-N
XLogP3.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate?
The IUPAC name of ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate (CID 79117513) is ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate.
What is the SMILES notation for ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate?
The canonical SMILES for ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate is CCCN(CCCCCC(=O)OCC)C1CCC(N)CC1.
What is the InChIKey of ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate?
The InChIKey is INMIXOYDORNUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-3-13-19(16-11-9-15(18)10-12-16)14-7-5-6-8-17(20)21-4-2/h15-16H,3-14,18H2,1-2H3.
What are the key properties of ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate?
ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate has a molecular weight of 298.47 g/mol, XLogP of 3.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate is sourced from PubChem (CID 79117513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).