ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate

C17H25NO2 — CID 57146036

IUPACethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
SMILESCCOC(=O)CCCCc1ccc2c(c1)CC(N)CC2
InChIInChI=1S/C17H25NO2/c1-2-20-17(19)6-4-3-5-13-7-8-14-9-10-16(18)12-15(14)11-13/h7-8,11,16H,2-6,9-10,12,18H2,1H3
InChIKeyKIJGQEMVLFBWKG-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.78
Rot. Bonds6

About ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate

ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate (PubChem CID 57146036) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
PubChem CID57146036
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
SMILESCCOC(=O)CCCCc1ccc2c(c1)CC(N)CC2
InChIInChI=1S/C17H25NO2/c1-2-20-17(19)6-4-3-5-13-7-8-14-9-10-16(18)12-15(14)11-13/h7-8,11,16H,2-6,9-10,12,18H2,1H3
InChIKeyKIJGQEMVLFBWKG-UHFFFAOYSA-N
XLogP2.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 139635533
ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate
CID 54113482
ethyl 5-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pentanoate
CID 14848615
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 139635532
methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 54070173
ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate
CID 162013129
(2R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130940477
ethyl 6-[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]hexanoate
CID 70125698
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
ethyl 5-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-4-yl)pentanoate
CID 166125619
ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride
CID 67782323
ethyl 5-[4-[[4-(aminomethyl)cyclohexylidene]methyl]phenyl]pentanoate
CID 54350310

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate?
The IUPAC name of ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate (CID 57146036) is ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate.
What is the SMILES notation for ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate?
The canonical SMILES for ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate is CCOC(=O)CCCCc1ccc2c(c1)CC(N)CC2.
What is the InChIKey of ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate?
The InChIKey is KIJGQEMVLFBWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-20-17(19)6-4-3-5-13-7-8-14-9-10-16(18)12-15(14)11-13/h7-8,11,16H,2-6,9-10,12,18H2,1H3.
What are the key properties of ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate?
ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate has a molecular weight of 275.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate is sourced from PubChem (CID 57146036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).