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

C16H32N2O2 — CID 79116311

IUPACethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate
SMILESCCOC(=O)CCCCCN(CC)C1CCC(N)CC1
InChIInChI=1S/C16H32N2O2/c1-3-18(15-11-9-14(17)10-12-15)13-7-5-6-8-16(19)20-4-2/h14-15H,3-13,17H2,1-2H3
InChIKeyIXKYUWMCEZRCMW-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.70
Rot. Bonds9

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

ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate (PubChem CID 79116311) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate.

Molecular Properties

Compound Nameethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate
PubChem CID79116311
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate
SMILESCCOC(=O)CCCCCN(CC)C1CCC(N)CC1
InChIInChI=1S/C16H32N2O2/c1-3-18(15-11-9-14(17)10-12-15)13-7-5-6-8-16(19)20-4-2/h14-15H,3-13,17H2,1-2H3
InChIKeyIXKYUWMCEZRCMW-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.70
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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Related Compounds

ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate
CID 79117513
4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide
CID 79116146
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
3-[(4-aminocyclohexyl)-ethylamino]propan-1-ol
CID 79115547
diethyl icosanedioate
CID 5058538
ethyl 7-(dimethylamino)heptanoate
CID 170069476
diethyl hexanedioate
CID 160747628
methyl 4-[[2-[(4-aminocyclohexyl)-ethylamino]acetyl]amino]butanoate
CID 79114779
ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate
CID 79121417
3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide
CID 79116151
1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
CID 92924220
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate?
The IUPAC name of ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate (CID 79116311) is ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate.
What is the SMILES notation for ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate?
The canonical SMILES for ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate is CCOC(=O)CCCCCN(CC)C1CCC(N)CC1.
What is the InChIKey of ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate?
The InChIKey is IXKYUWMCEZRCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-18(15-11-9-14(17)10-12-15)13-7-5-6-8-16(19)20-4-2/h14-15H,3-13,17H2,1-2H3.
What are the key properties of ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate?
ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate has a molecular weight of 284.44 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate is sourced from PubChem (CID 79116311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).