1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate

C17H25NO2 — CID 61279700

IUPAC1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate
SMILESNCCCCCCC(=O)OC1CCCc2ccccc21
InChIInChI=1S/C17H25NO2/c18-13-6-2-1-3-12-17(19)20-16-11-7-9-14-8-4-5-10-15(14)16/h4-5,8,10,16H,1-3,6-7,9,11-13,18H2
InChIKeySRMLBBHQJZOSFW-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.52
Rot. Bonds7

About 1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate

1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate (PubChem CID 61279700) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate
PubChem CID61279700
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate
SMILESNCCCCCCC(=O)OC1CCCc2ccccc21
InChIInChI=1S/C17H25NO2/c18-13-6-2-1-3-12-17(19)20-16-11-7-9-14-8-4-5-10-15(14)16/h4-5,8,10,16H,1-3,6-7,9,11-13,18H2
InChIKeySRMLBBHQJZOSFW-UHFFFAOYSA-N
XLogP3.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.52
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

1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-3-methylbutanoate
CID 81072196
7-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide;hydrochloride
CID 119728149
1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate
CID 64603582
1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate
CID 107339958
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
2-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756
6-amino-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 43652067
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate
CID 102439446
1,2,3,4-tetrahydronaphthalen-1-yl 2-amino-3-fluorobenzoate
CID 81498717
[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] benzoate
CID 100999748
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate
CID 64526040

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate (CID 61279700) is 1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate is NCCCCCCC(=O)OC1CCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate?
The InChIKey is SRMLBBHQJZOSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c18-13-6-2-1-3-12-17(19)20-16-11-7-9-14-8-4-5-10-15(14)16/h4-5,8,10,16H,1-3,6-7,9,11-13,18H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate?
1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate has a molecular weight of 275.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate is sourced from PubChem (CID 61279700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).